6-fluoranyl-4,5-bis(oxidanylidene)-3-[2-(phenylmethoxycarbonylamino)butanoylamino]hexanoic acid

Systemtic Name: 6-fluoranyl-4,5-bis(oxidanylidene)-3-[2-(phenylmethoxycarbonylamino)butanoylamino]hexanoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)butanoylamino]-6-fluoro-4,5-dioxo-hexanoic acid CAS Name: 6-fluoro-4,5-dioxo-3-[[1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid IUPAC Name: 6-fluoro-4,5-dioxo-3-[2-(phenylmethoxycarbonylamino)butanoylamino]hexanoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)butanoylamino]-6-fluoro-4,5-diketo-hexanoic acid Formula: C18H21FN2O7 MolecularWeight: 396.366943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O7/c1-2-12(21-18(27)28-10-11-6-4-3-5-7-11)17(26)20-13(8-15(23)24)16(25)14(22)9-19/h3-7,12-13H,2,8-10H2,1H3,(H,20,26)(H,21,27)(H,23,24)