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

Systemtic Name: 2-[[3-oxidanylidene-1-(3-phenylpropanoyl)-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isopropyl-3-oxo-1-(3-phenylpropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[3-oxo-1-(1-oxo-3-phenylpropyl)-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-oxo-1-(3-phenylpropanoyl)-2-propan-2-yl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-hydrocinnamoyl-2-isopropyl-3-keto-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H31N3O5/c1-19(2)27-29(36)31-23-18-22(28(35)32-24(30(37)38)17-21-11-7-4-8-12-21)14-15-25(23)33(27)26(34)16-13-20-9-5-3-6-10-20/h3-12,14-15,18-19,24,27H,13,16-17H2,1-2H3,(H,31,36)(H,32,35)(H,37,38)