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

Systemtic Name: 2-[5-cyclopropyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-cyclopropyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-cyclopropyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-cyclopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CC3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CC3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C23H23N3O5/c1-14-6-5-9-17-19(16-10-11-16)24-21(22(29)26(20(14)17)12-18(27)28)25-23(30)31-13-15-7-3-2-4-8-15/h2-9,16,21H,10-13H2,1H3,(H,25,30)(H,27,28)