5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[3-(phenylmethyl)phenyl]carbonylpiperidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[3-(phenylmethyl)phenyl]carbonylpiperidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 3-[[(2S)-1-(3-benzylbenzoyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[(2S)-1-[oxo-[3-(phenylmethyl)phenyl]methyl]-2-piperidinyl]methyl]amino]pentanoic acid IUPAC Name: 3-[[(2S)-1-(3-benzylbenzoyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-1-(3-benzylbenzoyl)pipecoloyl]amino]-5-fluoro-4-keto-valeric acid Formula: C25H27FN2O5 MolecularWeight: 454.490683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC(=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC(=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H27FN2O5/c26-16-22(29)20(15-23(30)31)27-24(32)21-11-4-5-12-28(21)25(33)19-10-6-9-18(14-19)13-17-7-2-1-3-8-17/h1-3,6-10,14,20-21H,4-5,11-13,15-16H2,(H,27,32)(H,30,31)/t20?,21-/m0/s1