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Home/Compounds/API/3-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-3-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-9-yl)propanoic acid
C45H68N10O13S
989.1 g/mol
API

3-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-3-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-9-yl)propanoic acid

CAS69228-04-2
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

This compound is a complex synthetic peptide used as an active pharmaceutical ingredient in the manufacturing of pharmaceutical products. It contains multiple amide bonds, a thioether linkage, and an aromatic ring, contributing to its high polarity and structural specificity.

pharmaceutical manufacturing

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.94

Carbetocin

CAS37025-55-1

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Identifiers
IUPAC Name

3-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-3-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicos-9-yl]propanoic acid

InChIKey

IQQYFLYEQYSQIG-DTRKZRJBSA-N

SMILES

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

Synonyms (3)
  • Carbetocin Impurity 9(Glu4)
  • [Glu4]Carbetocin X TFA Salt