[N'-[6-[[3-[4-[3-(carboxyamino)butylamino]butylamino]-2-fluoranyl-3-oxidanylidene-propanoyl]amino]hexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid

Systemtic Name: [N'-[6-[[3-[4-[3-(carboxyamino)butylamino]butylamino]-2-fluoranyl-3-oxidanylidene-propanoyl]amino]hexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid Openeye Name: [3-[4-[[3-[6-[[(tert-butoxycarbonylamino)-(carboxyamino)methylene]amino]hexylamino]-2-fluoro-3-oxo-propanoyl]amino]butylamino]-1-methyl-propyl]carbamic acid CAS Name: [6-[[3-[4-[3-(carboxyamino)butylamino]butylamino]-2-fluoro-1,3-dioxopropyl]amino]hexylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid IUPAC Name: [N'-[6-[[3-[4-[3-(carboxyamino)butylamino]butylamino]-2-fluoro-3-oxopropanoyl]amino]hexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid Traditional Name: [3-[4-[[3-[6-[[(tert-butoxycarbonylamino)-(carboxyamino)methylene]amino]hexylamino]-2-fluoro-3-keto-propanoyl]amino]butylamino]-1-methyl-propyl]carbamic acid Formula: C25H46FN7O8 MolecularWeight: 591.673243

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCCCCNC(=O)C(C(=O)NCCCCCCN=C(NC(=O)O)NC(=O)OC(C)(C)C)F)NC(=O)O

Isomeric SMILES

CC(CCNCCCCNC(=O)C(C(=O)NCCCCCCN=C(NC(=O)O)NC(=O)OC(C)(C)C)F)NC(=O)O

InChI

InChI=1S/C25H46FN7O8/c1-17(31-22(36)37)11-16-27-12-9-10-14-29-20(35)18(26)19(34)28-13-7-5-6-8-15-30-21(32-23(38)39)33-24(40)41-25(2,3)4/h17-18,27,31H,5-16H2,1-4H3,(H,28,34)(H,29,35)(H,36,37)(H,38,39)(H2,30,32,33,40)