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Synopsis

Synopsis

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Chemistry

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Also known as: Ensereptide [inn], Unii-smv73kw49c, Smv73kw49c, Acetyl(human lactotransferrin-(15-39)-peptidamide), Chembl1213249, 254433-51-7
Molecular Formula
C132H217N45O33S3
Molecular Weight
3058.6  g/mol
InChI Key
RGOYAPXMTXPMMR-VCYGAANBSA-N

Ensereptide
1 2D Structure

Ensereptide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-acetamido-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(3S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45R,50R,53S,56S,59S)-50-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-18-(4-aminobutyl)-27-(2-amino-2-oxoethyl)-33,39-bis(3-amino-3-oxopropyl)-42-benzyl-12,21,30-tris(3-carbamimidamidopropyl)-53-(hydroxymethyl)-36-(1H-indol-3-ylmethyl)-24-(2-methylsulfanylethyl)-2,8,11,14,17,20,23,26,29,32,35,38,41,44,52,55,58-heptadecaoxo-15,56-di(propan-2-yl)-47,48-dithia-1,7,10,13,16,19,22,25,28,31,34,37,40,43,51,54,57-heptadecazatricyclo[57.3.0.03,7]dohexacontan-45-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
2.1.2 InChI
InChI=1S/C132H217N45O33S3/c1-11-69(6)103(126(208)164-79(33-17-20-49-133)109(191)156-77(105(139)187)36-23-52-148-129(140)141)174-122(204)93-66-213-212-65-92(170-112(194)80(34-18-21-50-134)165-127(209)104(71(8)179)175-106(188)70(7)154-108(190)84(155-72(9)180)44-47-100(185)186)121(203)166-88(59-73-29-13-12-14-30-73)117(199)160-86(43-46-97(137)182)114(196)167-89(60-74-62-152-76-32-16-15-31-75(74)76)118(200)161-85(42-45-96(136)181)113(195)158-83(39-26-55-151-132(146)147)111(193)168-90(61-98(138)183)119(201)162-87(48-58-211-10)115(197)159-82(38-25-54-150-131(144)145)110(192)157-81(35-19-22-51-135)116(198)172-101(67(2)3)124(206)163-78(37-24-53-149-130(142)143)107(189)153-63-99(184)176-56-28-41-95(176)128(210)177-57-27-40-94(177)123(205)173-102(68(4)5)125(207)169-91(64-178)120(202)171-93/h12-16,29-32,62,67-71,77-95,101-104,152,178-179H,11,17-28,33-61,63-66,133-135H2,1-10H3,(H2,136,181)(H2,137,182)(H2,138,183)(H2,139,187)(H,153,189)(H,154,190)(H,155,180)(H,156,191)(H,157,192)(H,158,195)(H,159,197)(H,160,199)(H,161,200)(H,162,201)(H,163,206)(H,164,208)(H,165,209)(H,166,203)(H,167,196)(H,168,193)(H,169,207)(H,170,194)(H,171,202)(H,172,198)(H,173,205)(H,174,204)(H,175,188)(H,185,186)(H4,140,141,148)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t69-,70-,71+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-/m0/s1
2.1.3 InChI Key
RGOYAPXMTXPMMR-VCYGAANBSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)C)CCCNC(=N)N)C(C)C)CCCCN)CCCNC(=N)N)CCSC)CC(=O)N)CCCNC(=N)N)CCC(=O)N)CC4=CNC5=CC=CC=C54)CCC(=O)N)CC6=CC=CC=C6)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)C(C)C)CCCNC(=N)N)C(C)C)CCCCN)CCCNC(=N)N)CCSC)CC(=O)N)CCCNC(=N)N)CCC(=O)N)CC4=CNC5=CC=CC=C54)CCC(=O)N)CC6=CC=CC=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ensereptide [inn]

2. Unii-smv73kw49c

3. Smv73kw49c

4. Acetyl(human Lactotransferrin-(15-39)-peptidamide)

5. Chembl1213249

6. 254433-51-7

2.3 Create Date
2011-02-17
3 Chemical and Physical Properties
Molecular Weight 3058.6 g/mol
Molecular Formula C132H217N45O33S3
XLogP3-11.8
Hydrogen Bond Donor Count46
Hydrogen Bond Acceptor Count43
Rotatable Bond Count72
Exact Mass3057.5881129 g/mol
Monoisotopic Mass3056.5847581 g/mol
Topological Polar Surface Area1380 Ų
Heavy Atom Count213
Formal Charge0
Complexity6930
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Looking for 254433-51-7 / Ensereptide API manufacturers, exporters & distributors?

Ensereptide manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Ensereptide API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Ensereptide manufacturer or Ensereptide supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Ensereptide manufacturer or Ensereptide supplier.

PharmaCompass also assists you with knowing the Ensereptide API Price utilized in the formulation of products. Ensereptide API Price is not always fixed or binding as the Ensereptide Price is obtained through a variety of data sources. The Ensereptide Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Ensereptide

Synonyms

Ensereptide [inn], Unii-smv73kw49c, Smv73kw49c, Acetyl(human lactotransferrin-(15-39)-peptidamide), Chembl1213249, 254433-51-7

Cas Number

254433-51-7

Ensereptide Manufacturers

A Ensereptide manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Ensereptide, including repackagers and relabelers. The FDA regulates Ensereptide manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Ensereptide API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Ensereptide Suppliers

A Ensereptide supplier is an individual or a company that provides Ensereptide active pharmaceutical ingredient (API) or Ensereptide finished formulations upon request. The Ensereptide suppliers may include Ensereptide API manufacturers, exporters, distributors and traders.

Ensereptide GMP

Ensereptide Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Ensereptide GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Ensereptide GMP manufacturer or Ensereptide GMP API supplier for your needs.

Ensereptide CoA

A Ensereptide CoA (Certificate of Analysis) is a formal document that attests to Ensereptide's compliance with Ensereptide specifications and serves as a tool for batch-level quality control.

Ensereptide CoA mostly includes findings from lab analyses of a specific batch. For each Ensereptide CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Ensereptide may be tested according to a variety of international standards, such as European Pharmacopoeia (Ensereptide EP), Ensereptide JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Ensereptide USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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