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

Systemtic Name: 3-[[(2S)-2-(3-benzamido-2-oxidanylidene-pyridin-1-yl)-4-phenyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridyl)-4-phenyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-1-oxo-4-phenylbutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(3-benzamido-2-oxopyridin-1-yl)-4-phenylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(3-benzamido-2-keto-1-pyridyl)-4-phenyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C27H26FN3O6 MolecularWeight: 507.510243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC(CC(=O)O)C(=O)CF)N2C=CC=C(C2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N2C=CC=C(C2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26FN3O6/c28-17-23(32)21(16-24(33)34)30-26(36)22(14-13-18-8-3-1-4-9-18)31-15-7-12-20(27(31)37)29-25(35)19-10-5-2-6-11-19/h1-12,15,21-22H,13-14,16-17H2,(H,29,35)(H,30,36)(H,33,34)/t21?,22-/m0/s1