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

Systemtic Name: 3-[[(2S)-2-(3-benzamido-2-oxidanylidene-pyridin-1-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridyl)butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(3-benzamido-2-oxopyridin-1-yl)butanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(3-benzamido-2-keto-1-pyridyl)butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[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/C21H22FN3O6/c1-2-16(20(30)24-15(11-18(27)28)17(26)12-22)25-10-6-9-14(21(25)31)23-19(29)13-7-4-3-5-8-13/h3-10,15-16H,2,11-12H2,1H3,(H,23,29)(H,24,30)(H,27,28)/t15?,16-/m0/s1