Products 285571-64-4

CAS 285571-64-4 is the registry number for Barusiban. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

Barusiban
TargetMol, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
from 20195.99
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Structural formula: {0} (CAS {1})

(4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide (CAS 285571-64-4) is a chemical compound with the molecular formula C40H63N9O8S and a molecular weight of 830.1 g/mol. IUPAC name: (4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. InChIKey: UGNGRKKDUVKQDF-IHOMMZCZSA-N.

Identity
Molecular formulaC40H63N9O8S
Molecular weight830.1 g/mol
IUPAC name(4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
InChIKeyUGNGRKKDUVKQDF-IHOMMZCZSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)[C@@H](CCCN)CO)CC(=O)N)[C@H](C)CC

Computed by PubChem (NCBI)

Synonyms: Barusiban, barusibanum, Barusiban [INN], orb1739976