2-[[2-(2-methylpropyl)-3-oxidanylidene-1-(phenylcarbamoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(2-methylpropyl)-3-oxidanylidene-1-(phenylcarbamoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isobutyl-3-oxo-1-(phenylcarbamoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[anilino(oxo)methyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-methylpropyl)-3-oxo-1-(phenylcarbamoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-isobutyl-3-keto-1-(phenylcarbamoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(N1C(=O)NC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CC1C(=O)NC2=C(N1C(=O)NC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H30N4O5/c1-18(2)15-25-27(35)31-22-17-20(26(34)32-23(28(36)37)16-19-9-5-3-6-10-19)13-14-24(22)33(25)29(38)30-21-11-7-4-8-12-21/h3-14,17-18,23,25H,15-16H2,1-2H3,(H,30,38)(H,31,35)(H,32,34)(H,36,37)