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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C19H25FN2O6 MolecularWeight: 396.410003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H25FN2O6/c1-3-12(2)17(18(26)21-14(9-16(24)25)15(23)10-20)22-19(27)28-11-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t12?,14?,17-/m0/s1