5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanyl-nonadecanoic acid

Systemtic Name: 5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanyl-nonadecanoic acid Openeye Name: 6-tert-butoxycarbonyl-7-hydroxy-5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-2-methyl-nonadecanoic acid CAS Name: 7-hydroxy-5-[(5-methoxycarbonyl-1-methyl-2-imidazolyl)thio]-2-methyl-6-[(2-methylpropan-2-yl)oxy-oxomethyl]nonadecanoic acid IUPAC Name: 7-hydroxy-5-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanyl-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]nonadecanoic acid Traditional Name: 6-tert-butoxycarbonyl-5-[(5-carbomethoxy-1-methyl-imidazol-2-yl)thio]-7-hydroxy-2-methyl-nonadecanoic acid Formula: C31H54N2O7S MolecularWeight: 598.83466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(CCC(C)C(=O)O)SC1=NC=C(N1C)C(=O)OC)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC(C(C(CCC(C)C(=O)O)SC1=NC=C(N1C)C(=O)OC)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C31H54N2O7S/c1-8-9-10-11-12-13-14-15-16-17-18-24(34)26(29(38)40-31(3,4)5)25(20-19-22(2)27(35)36)41-30-32-21-23(33(30)6)28(37)39-7/h21-22,24-26,34H,8-20H2,1-7H3,(H,35,36)