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

Systemtic Name: 2-[[3-oxidanylidene-2-(phenylmethyl)-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzyl-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-(phenylmethyl)-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-benzyl-3-oxo-1-(2-thiophen-2-ylacetyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-benzyl-3-keto-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C31H27N3O5S MolecularWeight: 553.62818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC3=C(N2C(=O)CC4=CC=CS4)C=CC(=C3)C(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC3=C(N2C(=O)CC4=CC=CS4)C=CC(=C3)C(=O)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27N3O5S/c35-28(19-23-12-7-15-40-23)34-26-14-13-22(29(36)33-25(31(38)39)16-20-8-3-1-4-9-20)18-24(26)32-30(37)27(34)17-21-10-5-2-6-11-21/h1-15,18,25,27H,16-17,19H2,(H,32,37)(H,33,36)(H,38,39)