2-[3-oxidanylidene-8-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-8-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(benzyloxycarbonylamino)-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-8-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-8-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-(benzyloxycarbonylamino)-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)NC(C(=O)N1)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)NC(C(=O)N1)CC(=O)O

InChI

InChI=1S/C19H19N3O5/c23-17(24)9-16-18(25)20-10-13-6-7-14(8-15(13)22-16)21-19(26)27-11-12-4-2-1-3-5-12/h1-8,16,22H,9-11H2,(H,20,25)(H,21,26)(H,23,24)