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

Systemtic Name: 3-[[1-[2-fluoranyl-5-(thiophen-2-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[1-[2-fluoro-5-(2-thienylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[[1-[2-fluoro-5-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[1-[2-fluoro-5-(thiophen-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[1-[2-fluoro-5-(2-thenylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propionic acid Formula: C29H26FN5O5S MolecularWeight: 575.610643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26FN5O5S/c30-22-8-7-20(33-29(40)32-15-21-5-3-9-41-21)12-25(22)35-16-19(11-26(35)36)28(39)34-24(13-27(37)38)18-10-17-4-1-2-6-23(17)31-14-18/h1-10,12,14,19,24H,11,13,15-16H2,(H,34,39)(H,37,38)(H2,32,33,40)