[[2-乙基-4-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-噁烷-2-基]氧代-苯基]甲基氨基]甲硫酸

CAS号
126598-25-2
CCD编号
CCD00238895
分子式
C19 H13 Cl N4 O4 S
分子量
428.855

基本信息

产品名称: [[2-乙基-4-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-噁烷-2-基]氧代-苯基]甲基氨基]甲硫酸
CAS: 126598-25-2
中文同义词: [[2-乙基-4-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-噁烷-2-基]氧代-苯基]甲基氨基]甲硫酸
英文同义词: 7H-1,2,4-TRIAZOLO(3,4-B)(1,3,4)THIADIAZINE-7-ACETIC ACID, 3-(1,3-BENZO DIOXOL-5-YL)-6-(4-CHLOROPHENYL)-
MDL号: MFCD01678098
氢键受体数量: 8
氢键供体数量: 1
Smile: c1cc(ccc1C2=Nn3c(nnc3SC2CC(=O)O)c4ccc5c(c4)OCO5)Cl
InChi: InChI=1S/C19H13ClN4O4S/c20-12-4-1-10(2-5-12)17-15(8-16(25)26)29-19-22-21-18(24(19)23-17)11-3-6-13-14(7-11)28-9-27-13/h1-7,15H,8-9H2,(H,25,26)
InChiKey: InChIKey=NHIXWUWATNTKLN-UHFFFAOYSA-N

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