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

Systemtic Name: 2-[9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-isopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-isopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C23H25N3O5/c1-14(2)19-17-11-7-8-15(3)20(17)26(12-18(27)28)22(29)21(24-19)25-23(30)31-13-16-9-5-4-6-10-16/h4-11,14,21H,12-13H2,1-3H3,(H,25,30)(H,27,28)