3-[[5-oxidanylidene-1-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-(2-thienylmethylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(2-thenylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propionic acid Formula: C29H27N5O5S MolecularWeight: 557.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CS3)C(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CS3)C(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H27N5O5S/c35-26-12-20(28(38)33-25(14-27(36)37)19-11-18-5-1-2-9-24(18)30-15-19)17-34(26)22-7-3-6-21(13-22)32-29(39)31-16-23-8-4-10-40-23/h1-11,13,15,20,25H,12,14,16-17H2,(H,33,38)(H,36,37)(H2,31,32,39)