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

Systemtic Name: 2-[[3-oxidanylidene-2-propan-2-yl-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isopropyl-3-oxo-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[3-oxo-1-(1-oxo-2-thiophen-2-ylethyl)-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-oxo-2-propan-2-yl-1-(2-thiophen-2-ylacetyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-isopropyl-3-keto-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(N1C(=O)CC3=CC=CS3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=C(N1C(=O)CC3=CC=CS3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27N3O5S/c1-16(2)24-26(33)28-20-14-18(10-11-22(20)30(24)23(31)15-19-9-6-12-36-19)25(32)29-21(27(34)35)13-17-7-4-3-5-8-17/h3-12,14,16,21,24H,13,15H2,1-2H3,(H,28,33)(H,29,32)(H,34,35)