Chemical Compound

2-((1S,18S,21E,29S,30R)-30-((2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-9-hydroxy-18-((1R)-1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo(26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39)heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide

CAS Registry Number 158446-31-2
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2-((1S,18S,21E,29S,30R)-30-((2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-9-hydroxy-18-((1R)-1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo(26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39)heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide 结构式
Primary record

2-((1S,18S,21E,29S,30R)-30-((2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-9-hydroxy-18-((1R)-1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo(26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39)heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide

库存
4,044 克
纯度
98.3 %
CAS
158446-31-2

化合物标识与属性

CAS
158446-31-2
PubChem CID
139588126
SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@@H]3C4C5=NC(=CS5)C(=O)N[C@@H](CSC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)N[C@H](C(=O)N/C(=C(\C)/OC)/C1=NC(=CS1)C(=O)N4)[C@@H](C)O)O)C1=NC(=CS1)C(=O)N)(C)O)N(C)C
Canonical SMILES
CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2CSC(=O)c3[nH]c4cccc5c4c3CO[C@@H](C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2)[C@@H](O[C@H]1C[C@](C)(O)[C@H](N(C)C)[C@H](C)O1)C(=O)OC5

名称与同义词

  • Glycothiohexide alpha
  • RefChem:143938
  • CHEBI:207894
  • 158446-31-2
  • 2-((1S,18S,21E,29S,30R)-30-((2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-9-hydroxy-18-((1R)-1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo(26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39)heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide
  • 2-[(1S,18S,21E,29S,30R)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9-hydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide