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

Systemtic Name: 2-[[1-(3-methylbutanoyl)-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isopropyl-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3-methyl-1-oxobutyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-methylbutanoyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-isopropyl-1-isovaleryl-3-keto-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC(C)CC(=O)N1C(C(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C26H31N3O5/c1-15(2)12-22(30)29-21-11-10-18(14-19(21)27-25(32)23(29)16(3)4)24(31)28-20(26(33)34)13-17-8-6-5-7-9-17/h5-11,14-16,20,23H,12-13H2,1-4H3,(H,27,32)(H,28,31)(H,33,34)