N-[4-[azanyl-(phenylmethyl)amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[azanyl-(phenylmethyl)amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[4-[amino(benzyl)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[amino-(phenylmethyl)amino]-1-phenylbutyl]-2-hydroxy-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[amino(benzyl)amino]-1-phenylbutyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[4-[amino(benzyl)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinaldoylamino)succinamide Formula: C31H34N6O4 MolecularWeight: 554.63946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)(NC(=O)C3=NC4=CC=CC=C4C=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)(NC(=O)C3=NC4=CC=CC=C4C=C3)O)N

InChI

InChI=1S/C31H34N6O4/c32-28(38)20-31(41,36-29(39)27-18-17-24-14-7-8-15-25(24)34-27)30(40)35-26(23-12-5-2-6-13-23)16-9-19-37(33)21-22-10-3-1-4-11-22/h1-8,10-15,17-18,26,41H,9,16,19-21,33H2,(H2,32,38)(H,35,40)(H,36,39)