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Chemistry

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Also known as: Adegrapepimut-s, Dsr-131617, 1252802-98-4, Adegramotide [inn], Adegrapepimut-s [usan], Unii-4xq7w02eq0
Molecular Formula
C87H123N19O24
Molecular Weight
1819.0  g/mol
InChI Key
QMUKFZMAYHSADK-MZDDNWLQSA-N

Adegramotide
1 2D Structure

Adegramotide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
2.1.2 InChI
InChI=1S/C87H123N19O24/c1-44(2)33-58(100-83(125)71(46(5)6)103-82(124)66-24-17-30-104(66)84(126)49(9)94-74(116)56(88)37-53-39-89-57-22-15-14-21-55(53)57)77(119)99-61(38-70(112)113)78(120)98-60(35-51-19-12-11-13-20-51)76(118)95-50(10)85(127)106-32-18-25-67(106)86(128)105-31-16-23-65(105)81(123)91-40-68(110)92-47(7)72(114)102-64(43-108)79(121)93-48(8)73(115)97-59(36-52-26-28-54(109)29-27-52)75(117)90-41-69(111)96-63(42-107)80(122)101-62(87(129)130)34-45(3)4/h11-15,19-22,26-29,39,44-50,56,58-67,71,89,107-109H,16-18,23-25,30-38,40-43,88H2,1-10H3,(H,90,117)(H,91,123)(H,92,110)(H,93,121)(H,94,116)(H,95,118)(H,96,111)(H,97,115)(H,98,120)(H,99,119)(H,100,125)(H,101,122)(H,102,114)(H,103,124)(H,112,113)(H,129,130)/t47-,48-,49-,50-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1
2.1.3 InChI Key
QMUKFZMAYHSADK-MZDDNWLQSA-N
2.1.4 Canonical SMILES
CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C5CCCN5C(=O)C(C)NC(=O)C(CC6=CNC7=CC=CC=C76)N
2.1.5 Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Adegrapepimut-s

2. Dsr-131617

3. 1252802-98-4

4. Adegramotide [inn]

5. Adegrapepimut-s [usan]

6. Unii-4xq7w02eq0

7. 4xq7w02eq0

8. Chembl3989952

9. Dtxsid701337273

10. Human Wilms Tumor Protein (wt33)-(34-51)-peptide

11. Trp-ala-pro-val-leu-asp-phe-ala-pro-pro-gly-ala-ser-ala-tyr-gly-ser-leu

12. L-leucine, L-tryptophyl-l-alanyl-l-prolyl-l-valyl-l-leucyl-l-alpha-aspartyl-l-phenylalanyl-l-alanyl-l-prolyl-l-prolylglycyl-l-alanyl-l-seryl-l-alanyl-l-tyrosylglycyl-l-seryl-

2.3 Create Date
2016-08-16
3 Chemical and Physical Properties
Molecular Weight 1819.0 g/mol
Molecular Formula C87H123N19O24
XLogP3-2
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count25
Rotatable Bond Count47
Exact Mass1817.89883587 g/mol
Monoisotopic Mass1817.89883587 g/mol
Topological Polar Surface Area645 Ų
Heavy Atom Count130
Formal Charge0
Complexity3970
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 1252802-98-4 / Adegramotide API manufacturers, exporters & distributors?

Adegramotide manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Adegramotide 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 Adegramotide manufacturer or Adegramotide supplier for your needs.

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

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

API | Excipient name

Adegramotide

Synonyms

Adegrapepimut-s, Dsr-131617, 1252802-98-4, Adegramotide [inn], Adegrapepimut-s [usan], Unii-4xq7w02eq0

Cas Number

1252802-98-4

Adegramotide Manufacturers

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

Adegramotide Suppliers

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

Adegramotide GMP

Adegramotide 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 Adegramotide 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 Adegramotide GMP manufacturer or Adegramotide GMP API supplier for your needs.

Adegramotide CoA

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

Adegramotide CoA mostly includes findings from lab analyses of a specific batch. For each Adegramotide 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.

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