5-fluoranyl-4-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C22H23FN2O6 MolecularWeight: 430.426223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23FN2O6/c23-13-19(26)17(12-20(27)28)24-21(29)18(11-15-7-3-1-4-8-15)25-22(30)31-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,24,29)(H,25,30)(H,27,28)/t17?,18-/m0/s1