Chem
J-GLOBAL ID：200907030272572905   Nikkaji number：J1.517.558C

ER-040798

6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-N-{[(1R,3S,6S,9S,12S,14R,16R,18S,20S,22S,23R,25S,26S,27R,31R,34S,36S,37R,38R,40S,41S)-22-ヒドロキシ-14,26-ジメチル-8,15-ジメチリデン-29-オキソ-2,19,24,28,35,39,42,44,45,46-デカオキサデカシクロ[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]ヘキサテトラコンタン-23-イル]メチル}ヘキサンアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C57H84N4O15S
Molecular formula furigana： C57-H84-N4-O15-S
Molecular weight： 1097.370
InChI： InChI=1S/C57H84N4O15S/c1-28-20-32-13-15-37-29(2)21-34(67-37)17-18-57-25-42-52(75-57)53-54(72-42)55(76-57)51-38(71-53)16-14-33(69-51)22-47(65)74-50-31(4)49-40(70-41(50)24-39(68-32)30(28)3)23-36(62)43(73-49)26-59-46(64)11-6-5-9-19-58-45(63)12-8-7-10-44-48-35(27-77-44)60-56(66)61-48/h28,31-44,48-55,62H,2-3,5-27H2,1,4H3,(H,58,63)(H,59,64)(H2,60,61,66)/t28-,31+,32+,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-,43-,44+,48+,49+,50-,51+,52-,53-,54?,55-,57+/m1/s1
InChI key： QFEUOEKWGAMHML-DPLPSOQMSA-N
SMILES： C[C@@H]1C[C@@H]2CC[C@@H]3O[C@H](CC3=C)CC[C@@]34C[C@H]5O[C@H]6[C@H](O[C@H]7CC[C@H](CC(=O)O[C@@H]8[C@@H](C)[C@@H]9O[C@H](CNC(=O)CCCCCNC(=O)CCCC[C@@H]%10SC[C@@H]%11NC(=O)N[C@H]%10%11)[C@@H](O)C[C@@H]9O[C@H]8C[C@@H](O2)C1=C)O[C@@H]7[C@H]6O3)[C@@H]5O4
Systematic name  (3)：
  • N-[5-[[[(1S,4S,7S,10S,12R,14R,16S,18S,20S,21R,23S,24S,25R,29R,32S,33S,34R,35S,36S,37R,38R)-6,13-ジメチレン-12,24-ジメチル-20-ヒドロキシ-27-オキソ-17,22,26,40,41,42,43,44,45,46-デカオキサデカシクロ[35.2.1.11,34.14,7.110,14.129,33.132,36.135,38.016,25.018,23]ヘキサテトラコンタン-21-イル]メチル]カルバモイル]ペンチル]-5-[[(3aS)-2-オキソ-2,3,3aβ,4,6,6aβ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタンアミド
  • 6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-N-{[(1R,3S,6S,9S,12S,14R,16R,18S,20S,22S,23R,25S,26S,27R,31R,34S,36S,37R,38R,40S,41S)-22-ヒドロキシ-14,26-ジメチル-8,15-ジメチリデン-29-オキソ-2,19,24,28,35,39,42,44,45,46-デカオキサデカシクロ[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]ヘキサテトラコンタン-23-イル]メチル}ヘキサンアミド
  • 6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-{[(1R,3S,6S,9S,12S,14R,16R,18S,20S,22S,23R,25S,26S,27R,31R,34S,36S,37R,38R,40S,41S)-22-hydroxy-14,26-dimethyl-8,15-dimethylidene-29-oxo-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracontan-23-yl]methyl}hexanamide
Other name (2)：
  • N-[5-[[[(1S,4S,7S,10S,12R,14R,16S,18S,20S,21R,23S,24S,25R,29R,32S,33S,34R,35S,36S,37R,38R)-6,13-Dimethylene-12,24-dimethyl-20-hydroxy-27-oxo-17,22,26,40,41,42,43,44,45,46-decaoxadecacyclo[35.2.1.11,34.14,7.110,14.129,33.132,36.135,38.016,25.018,23]hexatetracontane-21-yl]methyl]carbamoyl]pentyl]-5-[[(3aS)-2-oxo-2,3,3aβ,4,6,6aβ-hexahydro-1H-thieno[3,4-d]imidazole]-4α-yl]pentanamide
  • ER-040798
Thsaurus map：
Thesaurus Map

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