(12S,27R)-27-(tert-butylsulfanylmethyl)-12-(hydroxymethyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione | 912656-57-6

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类

中文名称

——

中文别名

——

英文名称

(12S,27R)-27-(tert-butylsulfanylmethyl)-12-(hydroxymethyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione

英文别名

——

(12S,27R)-27-(tert-butylsulfanylmethyl)-12-(hydroxymethyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione化学式

CAS

912656-57-6

化学式

C₃₀H₂₈N₈O₉S

mdl

——

分子量

676.667

InChiKey

CCCWQGIQIUKPHU-LIRRHRJNSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.4
重原子数：

48
可旋转键数：

4
环数：

7.0
sp3杂化的碳原子比例：

0.33
拓扑面积：

260
氢给体数：

3
氢受体数：

16

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	2-[2-[2-[(1R)-1-[[2-[2-[2-[(1S)-1-amino-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-tert-butylsulfanylethyl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid	1026366-91-5	C₃₀H₃₀N₈O₁₀S	694.682
——	L2H2-6OTD intermediate-1	912656-47-4	C₂₄H₃₂N₄O₇S	520.607
——	ethyl 2-[2-[2-[(1R)-2-tert-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate	1261034-34-7	C₂₅H₃₄N₄O₇S	534.634
——	methyl 2-[2-[2-[(1R)-2-tert-butylsulfanyl-1-[[2-[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate	912656-55-4	C₃₉H₄₄N₈O₁₂S	848.891
——	ethyl 2-[2-[2-[(1R)-2-tert-butylsulfanyl-1-[[2-[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate	1261034-41-6	C₄₀H₄₆N₈O₁₂S	862.918
——	(R)-methyl 2'-(1-(tert-butoxycarbonylamino)-2-(tert-butylthio)ethyl)-5,5'-dimethyl-2,4'-bioxazole-4-carboxylate	1261034-31-4	C₂₁H₃₁N₃O₆S	453.56
——	(R)-methyl 2'-(1-(tert-butoxycarbonylamino)-2-(tert-butylthio)ethyl)-5,5'-dimethyl-2,4'-bioxazole-4-carbonitrile	1261034-33-6	C₂₀H₂₈N₄O₄S	420.533
——	2-[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid	912656-53-2	C₂₀H₂₂N₄O₈	446.417
——	(S)-ethyl 2'-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)-2,4'-trisoxazole-4-carboxylate	1261034-40-5	C₂₂H₂₆N₄O₈	474.47
——	methyl 2-[(1S,2R)-1-[[2-[(1R)-2-tert-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-2-hydroxypropyl]-1,3-oxazole-4-carboxylate	912656-45-2	C₂₄H₃₆N₄O₈S	540.638
——	(S)-ethyl 2'-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)-2,4'-bisoxazole-4-carboxylate	1261034-38-1	C₁₉H₂₅N₃O₇	407.423
——	(S)-2'-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)-2,4'-bisoxazole-4-carbonitrile	1261034-39-2	C₁₇H₂₀N₄O₅	360.37
——	methyl 2-(2-((R)-1-(tert-butoxycarbonylamino)-2-(tert-butylthio)ethyl)-5-methyloxazole-4-carboxamido)-3-oxobutanoate	1261034-43-8	C₂₁H₃₃N₃O₇S	471.575
——	benzyl 2-[(1S)-1-[[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazole-4-carboxylate	912656-49-6	C₂₇H₃₂N₄O₉	556.572
——	(R)-2-(1-(tert-butoxycarbonylamino)-2-(tert-butylthio)ethyl)-5-methyloxazole-4-carboxamide	1261034-30-3	C₁₆H₂₇N₃O₄S	357.474
——	(R)-methyl 2-(1-(tert-butoxycarbonylamino)-2-(tert-butylthio)ethyl)-5-methyloxazole-4-carboxylate	912656-41-8	C₁₇H₂₈N₂O₅S	372.486

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(28R)-28-(tert-butylsulfanylmethyl)-4,31-dimethyl-3,7,11,15,19,23,30-heptaoxa-27,32,33,34,35,36,37,38-octazaoctacyclo[27.2.1.12,5.16,9.110,13.114,17.118,21.122,25]octatriaconta-1(31),2(38),4,6(37),8,10(36),12,14(35),16,18(34),20,22(33),24,26,29(32)-pentadecaen-26-ol	912656-63-4	C₃₀H₂₄N₈O₈S	656.635
——	(27R)-27-(tert-butylsulfanylmethyl)-4,30-dimethyl-12-methylidene-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,10,13(34),15