4-methyl-2-[3-[[2-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclopentane-1-carboxylic acid

Systemtic Name: 4-methyl-2-[3-[[2-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclopentane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(8-quinolylsulfanyl)propanoyl]amino]-4-phenyl-butyl]-4-methyl-cyclopentanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-1-oxo-3-(8-quinolinylthio)propyl]amino]-4-phenylbutyl]-4-methyl-1-cyclopentanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-quinolin-8-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-4-methylcyclopentane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(8-quinolylthio)propanoyl]amino]-4-phenyl-butyl]-4-methyl-cyclopentanecarboxylic acid Formula: C30H37N3O6S2 MolecularWeight: 599.76128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C)O

Isomeric SMILES

CC1CC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C)O

InChI

InChI=1S/C30H37N3O6S2/c1-19-14-22(23(15-19)30(36)37)17-26(34)24(16-20-8-4-3-5-9-20)32-29(35)25(33-41(2,38)39)18-40-27-12-6-10-21-11-7-13-31-28(21)27/h3-13,19,22-26,33-34H,14-18H2,1-2H3,(H,32,35)(H,36,37)