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

Systemtic Name: 2-[5-cyclohexyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H29N3O5/c1-17-9-8-14-20-22(19-12-6-3-7-13-19)27-24(25(32)29(23(17)20)15-21(30)31)28-26(33)34-16-18-10-4-2-5-11-18/h2,4-5,8-11,14,19,24H,3,6-7,12-13,15-16H2,1H3,(H,28,33)(H,30,31)