3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid

Systemtic Name: 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid Openeye Name: 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid CAS Name: 3-[3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid IUPAC Name: 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid Traditional Name: 3-[2-keto-3-[(3-methoxyphenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-1-yl]propionic acid Formula: C26H24N4O5 MolecularWeight: 472.49256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H24N4O5/c1-35-19-11-7-10-18(16-19)27-26(34)29-24-25(33)30(15-14-22(31)32)21-13-6-5-12-20(21)23(28-24)17-8-3-2-4-9-17/h2-13,16,24H,14-15H2,1H3,(H,31,32)(H2,27,29,34)