CAS Number
Molecular Formula
C41H60N8O10
Product format
Neat
Molecular Weight
824.98
API Family
Synonyms
Nodularin; 118399-22-7; nodularin R; Nodularin-R; 0979BIK2QU; (2Z, 5R, 6S, 9S, 12S, 13S, 16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E, 3E, 5S, 6S)-6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dienyl]-1, 6, 13-trimethyl-3, 7, 10, 14, 19-pentaoxo-1, 4, 8, 11, 15-pentazacyclononadecane-5, 16-dicarboxylic acid; DTXSID60880022; Cyclo((Z)-2, 3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S, 3S, 4E, 6E, 8S, 9S)-4, 5, 6, 7-tetradehydro-9-methoxy-2, 6, 8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl); Cyclo(L-arginyl-(2S, 3S, 4E, 6E, 8S, 9S)-3-amino-9-methoxy-2, 6, 8-trimethyl-10-phenyl-4, 6-decadienoyl-D-gamma-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-beta-aspartyl); (2Z, 5R, 6S, 9S, 12S, 13S, 16R)-9-(3-(diaminomethylideneamino)propyl)-2-ethylidene-12-((1E, 3E, 5S, 6S)-6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dienyl)-1, 6, 13-trimethyl-3, 7, 10, 14, 19-pentaoxo-1, 4, 8, 11, 15-pentazacyclononadecane-5, 16-dicarboxylic acid; RefChem:53389; DTXCID701526860; cyclo((2S, 3S, 4E, 6E, 8S, 9S)-3-amino-9-methoxy-2, 6, 8-trimethyl-10-phenyl-4, 6-decadienoyl-d-gamma-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-d-beta-aspartyl-L-arginyl); Cyclo((Z)-2, 3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S, 4E, 6E, 8S, 9S)-4, 5, 6, 7-tetradehydro-9-methoxy-2, 6, 8-trimethyl-10-phenyl-L-3-aminodecanoyl-D-gamma-glutamyl); (5R, 6S, 9S, 12S, 13S, 16R, Z)-9-(3-((diaminomethylene)amino)propyl)-2-ethylidene-12-((1E, 3E, 5S, 6S)-6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dien-1-yl)-1, 6, 13-trimethyl-3, 7, 10, 14, 19-pentaoxo-1, 4, 8, 11, 15-pentaazacyclononadecane-5, 16-dicarboxylic acid; 9-(3-((diaminomethylidene)amino)propyl)-2-ethylidene-12-(6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dien-1-yl)-1, 6, 13-trimethyl-3, 7, 10, 14, 19-pentaoxo-1, 4, 8, 11, 15-pentaazacyclononadecane-5 and 16-dicarboxylic acid; CHEMBL108308; C41H60N8O10; UNII-0979BIK2QU; HSDB 7749
Iupac Name
(2Z, 5R, 6S, 9S, 12S, 13S, 16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E, 3E, 5S, 6S)-6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dienyl]-1, 6, 13-trimethyl-3, 7, 10, 14, 19-pentaoxo-1, 4, 8, 11, 15-pentazacyclononadecane-5 and 16-dicarboxylic acid
InChI
InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
