N-(5-cyclopentyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-[[(3-methyl-2-oxidanyl-butanoyl)amino]methyl]cyclopentane-1-carboxamide

Systemtic Name: N-(5-cyclopentyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-[[(3-methyl-2-oxidanyl-butanoyl)amino]methyl]cyclopentane-1-carboxamide Openeye Name: N-(5-cyclopentyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[[(2-hydroxy-3-methyl-butanoyl)amino]methyl]cyclopentanecarboxamide CAS Name: N-(5-cyclopentyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[[(2-hydroxy-3-methyl-1-oxobutyl)amino]methyl]-1-cyclopentanecarboxamide IUPAC Name: N-(5-cyclopentyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[[(2-hydroxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxamide Traditional Name: N-(5-cyclopentyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-1-[[(2-hydroxy-3-methyl-butanoyl)amino]methyl]cyclopentanecarboxamide Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1(CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCC4)C)O

Isomeric SMILES

CC(C)C(C(=O)NCC1(CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCC4)C)O

InChI

InChI=1S/C27H38N4O4/c1-17(2)22(32)24(33)28-16-27(14-8-9-15-27)26(35)30-23-25(34)31(3)20-13-7-6-12-19(20)21(29-23)18-10-4-5-11-18/h6-7,12-13,17-18,22-23,32H,4-5,8-11,14-16H2,1-3H3,(H,28,33)(H,30,35)