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

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

CCCC1C(=O)NC2=C(N1C(=O)CC(C)C)C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1C(=O)NC2=C(N1C(=O)CC(C)C)C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

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