(3S)-5-fluoranyl-4-oxidanylidene-3-[4-(phenylmethoxycarbonylamino)butanoylamino]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O6/c18-10-14(21)13(9-16(23)24)20-15(22)7-4-8-19-17(25)26-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,19,25)(H,20,22)(H,23,24)/t13-/m0/s1