N-[4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[3-[(4-acetamidophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[3-[(4-acetamidophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C36H42N6O7S MolecularWeight: 702.81968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C36H42N6O7S/c1-23(2)21-42(50(48,49)28-16-14-27(15-17-28)38-24(3)43)22-33(44)31(19-25-9-5-4-6-10-25)40-36(47)32(20-34(37)45)41-35(46)30-18-13-26-11-7-8-12-29(26)39-30/h4-18,23,31-33,44H,19-22H2,1-3H3,(H2,37,45)(H,38,43)(H,40,47)(H,41,46)