3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-2-fluoranyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-2-fluoranyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-2-fluoro-3-oxo-propanoic acid CAS Name: 3-[6-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]hexylamino]-2-fluoro-3-oxopropanoic acid IUPAC Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-2-fluoro-3-oxopropanoic acid Traditional Name: 3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-2-fluoro-3-keto-propionic acid Formula: C20H35FN4O7 MolecularWeight: 462.512903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCCCNC(=O)C(C(=O)O)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCCCNC(=O)C(C(=O)O)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H35FN4O7/c1-19(2,3)31-17(29)24-16(25-18(30)32-20(4,5)6)23-12-10-8-7-9-11-22-14(26)13(21)15(27)28/h13H,7-12H2,1-6H3,(H,22,26)(H,27,28)(H2,23,24,25,29,30)