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

Systemtic Name: N-[4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazin-1-yl)sulfonyl-amino]propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[3-hydroxy-4-[(4-methyl-1-piperazinyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[3-hydroxy-4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazino)sulfonyl-amino]propyl]-2-(quinaldoylamino)succinamide Formula: C33H45N7O6S MolecularWeight: 667.8187

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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)N4CCN(CC4)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)N4CCN(CC4)C

InChI

InChI=1S/C33H45N7O6S/c1-23(2)21-40(47(45,46)39-17-15-38(3)16-18-39)22-30(41)28(19-24-9-5-4-6-10-24)36-33(44)29(20-31(34)42)37-32(43)27-14-13-25-11-7-8-12-26(25)35-27/h4-14,23,28-30,41H,15-22H2,1-3H3,(H2,34,42)(H,36,44)(H,37,43)