N-(1-azanylpyrrolidin-2-yl)carbonyl-2-(isoquinolin-3-ylcarbonylamino)-2-oxidanyl-N-(4-phenylbutyl)butanediamide

Systemtic Name: N-(1-azanylpyrrolidin-2-yl)carbonyl-2-(isoquinolin-3-ylcarbonylamino)-2-oxidanyl-N-(4-phenylbutyl)butanediamide Openeye Name: N-(1-aminopyrrolidine-2-carbonyl)-2-hydroxy-2-(isoquinoline-3-carbonylamino)-N-(4-phenylbutyl)butanediamide CAS Name: N-[(1-amino-2-pyrrolidinyl)-oxomethyl]-2-hydroxy-2-[[3-isoquinolinyl(oxo)methyl]amino]-N-(4-phenylbutyl)butanediamide IUPAC Name: N-(1-aminopyrrolidine-2-carbonyl)-2-hydroxy-2-(isoquinoline-3-carbonylamino)-N-(4-phenylbutyl)butanediamide Traditional Name: N-(1-aminoprolyl)-2-hydroxy-2-(isoquinoline-3-carbonylamino)-N-(4-phenylbutyl)succinamide Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)N)C(=O)N(CCCCC2=CC=CC=C2)C(=O)C(CC(=O)N)(NC(=O)C3=CC4=CC=CC=C4C=N3)O

Isomeric SMILES

C1CC(N(C1)N)C(=O)N(CCCCC2=CC=CC=C2)C(=O)C(CC(=O)N)(NC(=O)C3=CC4=CC=CC=C4C=N3)O

InChI

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