(S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-alpha-D-galactopyranosyl]-N-9-Fmoc-L-serine Phenacyl Ester
(S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-alpha-D-galactopyranosyl]-N-9-Fmoc-L-serine Phenacyl Ester · CAS 171973-67-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-alpha-D-galactopyranosyl]-N-9-Fmoc-L-serine Phenacyl Ester
- CAS
- 171973-67-4
- CID
- 46783696
- IUPAC 名称
- [(6S,7S,8R,8aR)-7-acetamido-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-O-[2-(Acetylamino)-3-O-benzoyl-2-deoxy-4,6-O-benzylidene-alpha-D-galactopyranosyl]-N-9-Fmoc-L-serine Phenacyl Ester
- CAS
- 171973-67-4
- CID
- 46783696
- IUPAC 名称
- [(6S,7S,8R,8aR)-7-acetamido-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate
分子属性
- 分子式
- C48H44N2O12
- 分子量
- 840.9 g/mol
- 精确质量
- 840.28942484 Da
- 单同位素质量
- 840.28942484 Da
- XLogP
- 6.3
- 极性表面积
- 174 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 17
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1500
结构标识
- InChIKey
- FJDRGSPYAKZQMA-FWLMGMFLSA-N
- SMILES
- CC(=O)N[C@H]1[C@H]([C@@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H]1OC[C@@H](C(=O)OCC(=O)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)OC(=O)C8=CC=CC=C8
- InChI
- InChI=1S/C48H44N2O12/c1-29(51)49-41-43(61-44(53)31-17-7-3-8-18-31)42-40(28-58-46(62-42)32-19-9-4-10-20-32)60-47(41)57-26-38(45(54)56-27-39(52)30-15-5-2-6-16-30)50-48(55)59-25-37-35-23-13-11-21-33(35)34-22-12-14-24-36(34)37/h2-24,37-38,40-43,46-47H,25-28H2,1H3,(H,49,51)(H,50,55)/t38-,40?,41-,42-,43+,46?,47-/m0/s1