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

Systemtic Name: 2-[5-ethyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-ethyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-ethyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-3-17-16-11-7-8-14(2)19(16)25(12-18(26)27)21(28)20(23-17)24-22(29)30-13-15-9-5-4-6-10-15/h4-11,20H,3,12-13H2,1-2H3,(H,24,29)(H,26,27)