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

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethanoyl]amino]pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-2-phenyl-acetyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-2-phenyl-acetyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O6/c22-12-17(25)16(11-18(26)27)23-20(28)19(15-9-5-2-6-10-15)24-21(29)30-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,23,28)(H,24,29)(H,26,27)/t16?,19-/m0/s1