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

Systemtic Name: 3-[[1-[2-fluoranyl-5-(thiophen-2-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[2-fluoro-5-(2-thienylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[2-fluoro-5-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[2-fluoro-5-(thiophen-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[2-fluoro-5-(2-thenylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H24FN5O5S MolecularWeight: 525.551963

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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=CN=CC=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=CN=CC=C4

InChI

InChI=1S/C25H24FN5O5S/c26-19-6-5-17(29-25(36)28-13-18-4-2-8-37-18)10-21(19)31-14-16(9-22(31)32)24(35)30-20(11-23(33)34)15-3-1-7-27-12-15/h1-8,10,12,16,20H,9,11,13-14H2,(H,30,35)(H,33,34)(H2,28,29,36)