3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl-(3-methylphenyl)amino]propanoic acid

Systemtic Name: 3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl-(3-methylphenyl)amino]propanoic acid Openeye Name: 3-[3-methyl-N-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]anilino]propanoic acid CAS Name: 3-(3-methyl-N-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]anilino)propanoic acid IUPAC Name: 3-[3-methyl-N-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]anilino]propanoic acid Traditional Name: 3-[N-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-anilino]propionic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC(=O)O)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC(=O)O)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O4/c1-18-9-8-12-20(17-18)31(16-15-23(32)33)27(35)29-25-26(34)30(2)22-14-7-6-13-21(22)24(28-25)19-10-4-3-5-11-19/h3-14,17,25H,15-16H2,1-2H3,(H,29,35)(H,32,33)