1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-oxidanyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-oxidanyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide Openeye Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-[2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide CAS Name: 4-hydroxy-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-(2-thiophen-2-ylethyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide Traditional Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-[2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCCC4=CC=CS4)O)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCCC4=CC=CS4)O)O

InChI

InChI=1S/C29H33N3O6S/c1-18-22(10-5-11-25(18)34)27(36)31-23(15-19-7-3-2-4-8-19)26(35)29(38)32-17-20(33)16-24(32)28(37)30-13-12-21-9-6-14-39-21/h2-11,14,20,23-24,26,33-35H,12-13,15-17H2,1H3,(H,30,37)(H,31,36)