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

Systemtic Name: 2-[[3-oxidanylidene-2-phenyl-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-oxo-2-phenyl-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-phenyl-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-oxo-2-phenyl-1-(2-thiophen-2-ylacetyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-keto-2-phenyl-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(C(=O)N3)C4=CC=CC=C4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(C(=O)N3)C4=CC=CC=C4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C30H25N3O5S/c34-26(18-22-12-7-15-39-22)33-25-14-13-21(17-23(25)31-29(36)27(33)20-10-5-2-6-11-20)28(35)32-24(30(37)38)16-19-8-3-1-4-9-19/h1-15,17,24,27H,16,18H2,(H,31,36)(H,32,35)(H,37,38)