3-[[(2S)-2-(3-benzamido-2-oxidanylidene-pyridin-1-yl)-3-thiophen-3-yl-propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-2-(3-benzamido-2-oxidanylidene-pyridin-1-yl)-3-thiophen-3-yl-propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridyl)-3-(3-thienyl)propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-1-oxo-3-(3-thiophenyl)propyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(3-benzamido-2-oxopyridin-1-yl)-3-thiophen-3-ylpropanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(3-benzamido-2-keto-1-pyridyl)-3-(3-thienyl)propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C24H22FN3O6S MolecularWeight: 499.511383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CN(C2=O)C(CC3=CSC=C3)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CN(C2=O)[C@@H](CC3=CSC=C3)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C24H22FN3O6S/c25-13-20(29)18(12-21(30)31)27-23(33)19(11-15-8-10-35-14-15)28-9-4-7-17(24(28)34)26-22(32)16-5-2-1-3-6-16/h1-10,14,18-19H,11-13H2,(H,26,32)(H,27,33)(H,30,31)/t18?,19-/m0/s1