2-[9-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[9-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-isobutyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[9-methyl-5-(2-methylpropyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[9-methyl-5-(2-methylpropyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-isobutyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2CC(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2CC(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C24H27N3O5/c1-15(2)12-19-18-11-7-8-16(3)21(18)27(13-20(28)29)23(30)22(25-19)26-24(31)32-14-17-9-5-4-6-10-17/h4-11,15,22H,12-14H2,1-3H3,(H,26,31)(H,28,29)