2-[[3-[[[6-[2-[butyl-[6-[[5-(carboxymethyloxycarbonylamino)-1,3,3-trimethyl-cyclohexyl]methylcarbamoyloxy]hexanoyl]amino]ethylamino]-6-oxidanylidene-hexoxy]carbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamoyloxy]ethanoic acid

Systemtic Name: 2-[[3-[[[6-[2-[butyl-[6-[[5-(carboxymethyloxycarbonylamino)-1,3,3-trimethyl-cyclohexyl]methylcarbamoyloxy]hexanoyl]amino]ethylamino]-6-oxidanylidene-hexoxy]carbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[3-[[[6-[2-[butyl-[6-[[5-(carboxymethyloxycarbonylamino)-1,3,3-trimethyl-cyclohexyl]methylcarbamoyloxy]hexanoyl]amino]ethylamino]-6-oxo-hexoxy]carbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamoyloxy]acetic acid CAS Name: 2-[[[3-[[[[6-[2-[butyl-[6-[[[5-[[carboxymethyloxy(oxo)methyl]amino]-1,3,3-trimethylcyclohexyl]methylamino]-oxomethoxy]-1-oxohexyl]amino]ethylamino]-6-oxohexoxy]-oxomethyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[3-[[[6-[2-[butyl-[6-[[5-(carboxymethyloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]hexanoyl]amino]ethylamino]-6-oxohexoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]acetic acid Traditional Name: 2-[[3-[[[6-[2-[butyl-[6-[[5-(carboxymethyloxycarbonylamino)-1,3,3-trimethyl-cyclohexyl]methylcarbamoyloxy]hexanoyl]amino]ethylamino]-6-keto-hexoxy]carbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamoyloxy]acetic acid Formula: C46H80N6O14 MolecularWeight: 941.1592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNC(=O)CCCCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(=O)O)C)C(=O)CCCCCOC(=O)NCC2(CC(CC(C2)(C)C)NC(=O)OCC(=O)O)C

Isomeric SMILES

CCCCN(CCNC(=O)CCCCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(=O)O)C)C(=O)CCCCCOC(=O)NCC2(CC(CC(C2)(C)C)NC(=O)OCC(=O)O)C

InChI

InChI=1S/C46H80N6O14/c1-8-9-19-52(36(54)17-13-11-15-22-64-40(60)49-32-46(7)26-34(24-44(4,5)30-46)51-42(62)66-28-38(57)58)20-18-47-35(53)16-12-10-14-21-63-39(59)48-31-45(6)25-33(23-43(2,3)29-45)50-41(61)65-27-37(55)56/h33-34H,8-32H2,1-7H3,(H,47,53)(H,48,59)(H,49,60)(H,50,61)(H,51,62)(H,55,56)(H,57,58)