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

Systemtic Name: 2-[5-(methoxymethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-(methoxymethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(methoxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(methoxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-5-(methoxymethyl)-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-14-7-6-10-16-17(13-30-2)23-20(21(28)25(19(14)16)11-18(26)27)24-22(29)31-12-15-8-4-3-5-9-15/h3-10,20H,11-13H2,1-2H3,(H,24,29)(H,26,27)