N,N'-[二硫代双[2,1-乙基亚胺基(3- 氧代-3,1-丙二基)]]双(2,4-二羟基 -3,3-二甲基)丁酰胺
N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide · CAS 138148-35-3
- 中文名
- N,N'-[二硫代双[2,1-乙基亚胺基(3- 氧代-3,1-丙二基)]]双(2,4-二羟基 -3,3-二甲基)丁酰胺
- 中文别名
- 暂无
- 英文名
- N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
- CAS
- 138148-35-3
- CID
- 4677
- IUPAC 名称
- N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
名称与编号
- 中文名
- N,N'-[二硫代双[2,1-乙基亚胺基(3- 氧代-3,1-丙二基)]]双(2,4-二羟基 -3,3-二甲基)丁酰胺
- 中文别名
- 暂无
- 英文名
- N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
- CAS
- 138148-35-3
- CID
- 4677
- IUPAC 名称
- N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
分子属性
- 分子式
- C22H42N4O8S2
- 分子量
- 554.7 g/mol
- 精确质量
- 554.24440666 Da
- 单同位素质量
- 554.24440666 Da
- XLogP
- -2.2
- 极性表面积
- 248 Ų
- 氢键供体
- 8
- 氢键受体
- 10
- 可旋转键
- 19
- 重原子数
- 36
- 净电荷
- 0
- 结构复杂度
- 652
结构标识
- InChIKey
- DJWYOLJPSHDSAL-UHFFFAOYSA-N
- SMILES
- CC(C)(CO)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)CO)O)O
- InChI
- InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)