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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(N1C(=O)CC(C)C)C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC1C(=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/c1-16(2)12-23-26(33)28-20-15-19(10-11-22(20)30(23)24(31)13-17(3)4)25(32)29-21(27(34)35)14-18-8-6-5-7-9-18/h5-11,15-17,21,23H,12-14H2,1-4H3,(H,28,33)(H,29,32)(H,34,35)