N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(2-cyclopentylethanoylamino)propanamide

Systemtic Name: N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(2-cyclopentylethanoylamino)propanamide Openeye Name: 2-[(2-cyclopentylacetyl)amino]-N-[1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-[(2-cyclopentyl-1-oxoethyl)amino]-N-[1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-[(2-cyclopentylacetyl)amino]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 2-[(2-cyclopentylacetyl)amino]-N-[2-keto-5-phenyl-1-(2-phthalimidoethyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C35H35N5O5 MolecularWeight: 605.6829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O)NC(=O)CC6CCCC6

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O)NC(=O)CC6CCCC6

InChI

InChI=1S/C35H35N5O5/c1-22(36-29(41)21-23-11-5-6-12-23)32(42)38-31-35(45)39(19-20-40-33(43)25-15-7-8-16-26(25)34(40)44)28-18-10-9-17-27(28)30(37-31)24-13-3-2-4-14-24/h2-4,7-10,13-18,22-23,31H,5-6,11-12,19-21H2,1H3,(H,36,41)(H,38,42)