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

Systemtic Name: 2-[5-(acetyloxymethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(acetyloxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(acetyloxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C23H23N3O7 MolecularWeight: 453.44462

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O7/c1-14-7-6-10-17-18(13-32-15(2)27)24-21(22(30)26(20(14)17)11-19(28)29)25-23(31)33-12-16-8-4-3-5-9-16/h3-10,21H,11-13H2,1-2H3,(H,25,31)(H,28,29)