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

分子结构分类

有机化合物 - 有机杂环化合物 - 唑类

中文名称

——

中文别名

——

英文名称

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

英文别名

——

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化学式

CAS

912656-55-4

化学式

C₃₉H₄₄N₈O₁₂S

mdl

——

分子量

848.891

InChiKey

VDEZCOTXYDLPDW-DQEYMECFSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.1
重原子数：

60
可旋转键数：

15
环数：

7.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

276
氢给体数：

1
氢受体数：

19

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-[(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
——	L2H2-6OTD intermediate-1	912656-47-4	C₂₄H₃₂N₄O₇S	520.607
——	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
——	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
——	benzyl 2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carboxylate	912656-68-9	C₂₁H₂₆N₂O₆	402.447
——	(S)-methyl 2-[3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl]oxazole-4-carboxylate	203456-93-3	C₁₅H₂₂N₂O₆	326.349
——	(S)-2-[3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl]oxazole-4-carboxylic acid	890403-75-5	C₁₄H₂₀N₂O₆	312.323
——	(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
——	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
——	(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