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

Systemtic Name: 2-[[2-butan-2-yl-3-oxidanylidene-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-oxo-2-sec-butyl-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-butan-2-yl-3-oxo-1-(1-oxo-2-thiophen-2-ylethyl)-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-3-oxo-1-(2-thiophen-2-ylacetyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-keto-2-sec-butyl-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C28H29N3O5S/c1-3-17(2)25-27(34)29-21-15-19(11-12-23(21)31(25)24(32)16-20-10-7-13-37-20)26(33)30-22(28(35)36)14-18-8-5-4-6-9-18/h4-13,15,17,22,25H,3,14,16H2,1-2H3,(H,29,34)(H,30,33)(H,35,36)