4NR672T8NL

Chemistry

Chemistry

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 6233-83-6, 6233-83-6 (acetate), (s)-n-((s)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-((4r,7s,10s,13s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((s)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide acetate, Acetic acid;(2s)-1-[(4r,7s,10s,13s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2s)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-n-[(2s)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide, Unii-4nr672t8nl, Einecs 228-347-5

Molecular Formula

C₄₅H₇₀N₁₂O₁₄S₂

Molecular Weight

1067.2 g/mol

InChI Key

DSZOEVVLZMNAEH-BXUJZNQYSA-N

1 2D Structure

4NR672T8NL

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

2.1.2 InChI

InChI=1S/C43H66N12O12S2.C2H4O2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;1-2(3)4/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35-;/m0./s1

2.1.3 InChI Key

DSZOEVVLZMNAEH-BXUJZNQYSA-N

2.1.4 Canonical SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.CC(=O)O

2.1.5 Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6233-83-6

2. 6233-83-6 (acetate)

3. (s)-n-((s)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-((4r,7s,10s,13s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((s)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide Acetate

4. Acetic Acid;(2s)-1-[(4r,7s,10s,13s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2s)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-n-[(2s)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

5. Unii-4nr672t8nl

6. Einecs 228-347-5

7. Orasthin; Ossitocina

8. A-hypophamine Acetate

9. Oxytocic Hormone Acetate

10. Ncgc00166145-02

11. Dsstox_cid_26552

12. Dsstox_rid_81713

13. Dsstox_gsid_46552

14. 4nr672t8nl

15. Schembl2126148

16. Chembl3185709

17. Dtxsid1046552

18. Tox21_112339

19. At13256

20. Ccg-270627

21. Oxytocin Acetate (50-56-6 Free Base)

22. Cas-6233-83-6

23. A915765

24. Q27260257

2.3 Create Date

2007-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄₅H₇₀N₁₂O₁₄S₂
Molecular Weight	1067.2 g/mol
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	17
Exact Mass	1066.45758730 g/mol
Monoisotopic Mass	1066.45758730 g/mol
Topological Polar Surface Area	487 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	1900
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Oxytocin Acetate

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CAS Number

50-56-6

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About the Company

Hangzhou Go Top Peptide Biotech is a private, technology-based company, located in Hangzhou, China. We d...

Hangzhou Go Top Peptide Biotech is a private, technology-based company, located in Hangzhou, China. We dedicate to provide full services to those worldwide pharmaceutical, cosmetic and biotech companies. We mainly specialize in the process development and manufacturing PEPTIDE , which is with the highest quality available for all research applications ; Besides, we also provide cosmetic peptides and custom peptide synthesis, HPLC purification and bio-test services. We have well-equipped peptide synthesis center covering 5000 sq.ft. with peptide synthesizer 50L, 20L, 5L; several HPLC purification systems with different sizes, and the center also equipped with GMP standard clean room to meet your special needs. Our technical team is experienced in peptide industry for more than 10 years, excellent know-how in peptide chemistry. Each year, we put 20% of sales revenue into R&D, and we also established sound cooperation with research center of universities and institutes. We have critical control on each steps from procurement, re-test of RM, peptide synthesis, purification, lyophilization, packing and final delivery. Our company is promised to provide in time services and high quality products to each valuable partners!

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