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

Systemtic Name: (3S)-3-[[(2S)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-2-(4-chlorophenyl)acetyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: (3S)-3-[[(2S)-2-(4-chlorophenyl)-1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-2-(4-chlorophenyl)acetyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H20ClFN2O6 MolecularWeight: 450.844703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O6/c22-15-8-6-14(7-9-15)19(20(29)24-16(10-18(27)28)17(26)11-23)25-21(30)31-12-13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H,24,29)(H,25,30)(H,27,28)/t16-,19-/m0/s1