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

Systemtic Name: 2-[[2-butan-2-yl-1-(3-methylbutanoyl)-3-oxidanylidene-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-methylbutanoyl)-3-oxo-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-butan-2-yl-1-(3-methyl-1-oxobutyl)-3-oxo-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-isovaleryl-3-keto-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-5-17(4)24-26(33)28-20-15-19(11-12-22(20)30(24)23(31)13-16(2)3)25(32)29-21(27(34)35)14-18-9-7-6-8-10-18/h6-12,15-17,21,24H,5,13-14H2,1-4H3,(H,28,33)(H,29,32)(H,34,35)