N-[N'-[8-[[3-[4-[3-(carboxylatoamino)butylamino]butylamino]-2-methoxy-3-oxidanylidene-propanoyl]amino]octyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: N-[N'-[8-[[3-[4-[3-(carboxylatoamino)butylamino]butylamino]-2-methoxy-3-oxidanylidene-propanoyl]amino]octyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: N-[3-[4-[[3-[8-[[(tert-butoxycarbonylamino)-(carboxylatoamino)methylene]amino]octylamino]-2-methoxy-3-oxo-propanoyl]amino]butylamino]-1-methyl-propyl]carbamate CAS Name: N-[8-[[3-[4-[3-(carboxylatoamino)butylamino]butylamino]-2-methoxy-1,3-dioxopropyl]amino]octylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamate IUPAC Name: N-[N'-[8-[[3-[4-[3-(carboxylatoamino)butylamino]butylamino]-2-methoxy-3-oxopropanoyl]amino]octyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[3-[4-[[3-[8-[[(tert-butoxycarbonylamino)-(carboxylatoamino)methylene]amino]octylamino]-3-keto-2-methoxy-propanoyl]amino]butylamino]-1-methyl-propyl]carbamate Formula: C28H51N7O9-2 MolecularWeight: 629.74604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCCCCNC(=O)C(C(=O)NCCCCCCCCN=C(NC(=O)[O-])NC(=O)OC(C)(C)C)OC)NC(=O)[O-]

Isomeric SMILES

CC(CCNCCCCNC(=O)C(C(=O)NCCCCCCCCN=C(NC(=O)[O-])NC(=O)OC(C)(C)C)OC)NC(=O)[O-]

InChI

InChI=1S/C28H53N7O9/c1-20(33-25(38)39)14-19-29-15-12-13-17-31-23(37)21(43-5)22(36)30-16-10-8-6-7-9-11-18-32-24(34-26(40)41)35-27(42)44-28(2,3)4/h20-21,29,33H,6-19H2,1-5H3,(H,30,36)(H,31,37)(H,38,39)(H,40,41)(H2,32,34,35,42)/p-2