N-[1-(isoquinolin-3-ylcarbonylamino)-2-oxidanyl-4-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[1-(isoquinolin-3-ylcarbonylamino)-2-oxidanyl-4-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[2-hydroxy-1-(isoquinoline-3-carbonylamino)-4-phenyl-butyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[2-hydroxy-1-[[3-isoquinolinyl(oxo)methyl]amino]-4-phenylbutyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[2-hydroxy-1-(isoquinoline-3-carbonylamino)-4-phenylbutyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[2-hydroxy-1-(isoquinoline-3-carbonylamino)-4-phenyl-butyl]-2-(quinaldoylamino)succinamide Formula: C34H32N6O5 MolecularWeight: 604.65508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C34H32N6O5/c35-30(42)19-28(38-32(43)26-16-15-22-10-6-7-13-25(22)37-26)34(45)40-31(29(41)17-14-21-8-2-1-3-9-21)39-33(44)27-18-23-11-4-5-12-24(23)20-36-27/h1-13,15-16,18,20,28-29,31,41H,14,17,19H2,(H2,35,42)(H,38,43)(H,39,44)(H,40,45)