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

Systemtic Name: 3-[[(2S)-2-(3-benzamido-2-oxidanylidene-pyridin-1-yl)propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridyl)propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-1-oxopropyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(3-benzamido-2-oxopyridin-1-yl)propanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(3-benzamido-2-keto-1-pyridyl)propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC=C(C1=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC=C(C1=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20FN3O6/c1-12(18(28)23-15(10-17(26)27)16(25)11-21)24-9-5-8-14(20(24)30)22-19(29)13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H,22,29)(H,23,28)(H,26,27)/t12-,15?/m0/s1