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

Systemtic Name: 2-(isoquinolin-3-ylcarbonylamino)-N-[2-oxidanyl-4-phenyl-1-(pyrrolidin-2-ylcarbonylamino)butyl]butanediamide Openeye Name: N-[2-hydroxy-4-phenyl-1-(pyrrolidine-2-carbonylamino)butyl]-2-(isoquinoline-3-carbonylamino)butanediamide CAS Name: N-[2-hydroxy-1-[[oxo(2-pyrrolidinyl)methyl]amino]-4-phenylbutyl]-2-[[3-isoquinolinyl(oxo)methyl]amino]butanediamide IUPAC Name: N-[2-hydroxy-4-phenyl-1-(pyrrolidine-2-carbonylamino)butyl]-2-(isoquinoline-3-carbonylamino)butanediamide Traditional Name: N-[2-hydroxy-4-phenyl-1-(prolylamino)butyl]-2-(isoquinoline-3-carbonylamino)succinamide Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CC(NC1)C(=O)NC(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C29H34N6O5/c30-25(37)16-23(33-28(39)22-15-19-9-4-5-10-20(19)17-32-22)29(40)35-26(34-27(38)21-11-6-14-31-21)24(36)13-12-18-7-2-1-3-8-18/h1-5,7-10,15,17,21,23-24,26,31,36H,6,11-14,16H2,(H2,30,37)(H,33,39)(H,34,38)(H,35,40)