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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C(=C1)NC(=O)C2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC1=CN(C(=O)C(=C1)NC(=O)C2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C27H26FN3O6/c1-17-12-21(30-25(35)19-10-6-3-7-11-19)27(37)31(16-17)22(13-18-8-4-2-5-9-18)26(36)29-20(14-24(33)34)23(32)15-28/h2-12,16,20,22H,13-15H2,1H3,(H,29,36)(H,30,35)(H,33,34)/t20?,22-/m0/s1