[1-[[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-methoxycarbonyl-amino]-1-phenyl-butyl]amino]-2-(methoxycarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] hexadecanoate

Systemtic Name: [1-[[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-methoxycarbonyl-amino]-1-phenyl-butyl]amino]-2-(methoxycarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] hexadecanoate Openeye Name: [1-[[4-[(3-cyclohexyl-1-isopropyl-2-oxo-propyl)-methoxycarbonyl-amino]-1-phenyl-butyl]carbamoyl]-1-(methoxycarbonylamino)-2-methyl-propyl] hexadecanoate CAS Name: hexadecanoic acid [1-[[4-[(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)-methoxycarbonylamino]-1-phenylbutyl]amino]-2-(methoxycarbonylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-[(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)-methoxycarbonylamino]-1-phenylbutyl]amino]-2-(methoxycarbonylamino)-3-methyl-1-oxobutan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-(carbomethoxyamino)-1-[[4-[carbomethoxy-(3-cyclohexyl-1-isopropyl-2-keto-propyl)amino]-1-phenyl-butyl]carbamoyl]-2-methyl-propyl] ester Formula: C47H79N3O8 MolecularWeight: 814.14546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C(C)C)(C(=O)NC(CCCN(C(C(C)C)C(=O)CC1CCCCC1)C(=O)OC)C2=CC=CC=C2)NC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C(C)C)(C(=O)NC(CCCN(C(C(C)C)C(=O)CC1CCCCC1)C(=O)OC)C2=CC=CC=C2)NC(=O)OC

InChI

InChI=1S/C47H79N3O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-33-42(52)58-47(37(4)5,49-45(54)56-6)44(53)48-40(39-30-24-21-25-31-39)32-27-34-50(46(55)57-7)43(36(2)3)41(51)35-38-28-22-20-23-29-38/h21,24-25,30-31,36-38,40,43H,8-20,22-23,26-29,32-35H2,1-7H3,(H,48,53)(H,49,54)