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

Systemtic Name: 2-[[1-(3-methylbutanoyl)-3-oxidanylidene-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[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-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-isovaleryl-3-keto-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CC(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N3O5/c1-14(2)10-21(28)26-13-20(27)24-17-12-16(8-9-19(17)26)22(29)25-18(23(30)31)11-15-6-4-3-5-7-15/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,24,27)(H,25,29)(H,30,31)