5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(6-oxidanylidenepyrimidin-1-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(6-oxidanylidenepyrimidin-1-yl)butanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(6-oxopyrimidin-1-yl)butanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(6-oxo-1-pyrimidinyl)butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(6-oxopyrimidin-1-yl)butanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(6-ketopyrimidin-1-yl)butanoyl]amino]valeric acid Formula: C13H16FN3O5 MolecularWeight: 313.281643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC=CC1=O

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC=CC1=O

InChI

InChI=1S/C13H16FN3O5/c1-2-9(17-7-15-4-3-11(17)19)13(22)16-8(5-12(20)21)10(18)6-14/h3-4,7-9H,2,5-6H2,1H3,(H,16,22)(H,20,21)/t8?,9-/m0/s1