tert-butyl 2-[5-(acetyloxymethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(acetyloxymethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(acetyloxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(acetyloxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2COC(=O)C)NC(=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2COC(=O)C)NC(=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H31N3O7/c1-17-10-9-13-20-21(16-35-18(2)31)28-24(29-26(34)36-15-19-11-7-6-8-12-19)25(33)30(23(17)20)14-22(32)37-27(3,4)5/h6-13,24H,14-16H2,1-5H3,(H,29,34)