2-[(3R)-2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3R)-2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[(3R)-3-(benzyloxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[(3R)-2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[(3R)-2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[(3R)-3-(benzyloxycarbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H21N3O5/c29-21(30)15-28-20-14-8-7-13-19(20)22(18-11-5-2-6-12-18)26-23(24(28)31)27-25(32)33-16-17-9-3-1-4-10-17/h1-14,23H,15-16H2,(H,27,32)(H,29,30)/t23-/m0/s1