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

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C17H21FN2O6 MolecularWeight: 368.356843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O6/c1-2-12(16(24)19-13(8-15(22)23)14(21)9-18)20-17(25)26-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,19,24)(H,20,25)(H,22,23)/t12-,13?/m0/s1