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

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

CCCC1C(=O)NC2=C(N1C(=O)CC3=CC=CS3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1C(=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/c1-2-7-23-26(33)28-20-15-18(11-12-22(20)30(23)24(31)16-19-10-6-13-36-19)25(32)29-21(27(34)35)14-17-8-4-3-5-9-17/h3-6,8-13,15,21,23H,2,7,14,16H2,1H3,(H,28,33)(H,29,32)(H,34,35)