2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide · CAS 78410-57-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
- CAS
- 78410-57-8
- CID
- 71226
- IUPAC 名称
- 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
- CAS
- 78410-57-8
- CID
- 71226
- IUPAC 名称
- 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
分子属性
- 分子式
- C31H40N6O7S
- 分子量
- 640.8 g/mol
- 精确质量
- 640.26791881 Da
- 单同位素质量
- 640.26791881 Da
- XLogP
- 1.4
- 极性表面积
- 234 Ų
- 氢键供体
- 7
- 氢键受体
- 9
- 可旋转键
- 17
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1000
结构标识
- InChIKey
- RQBSKKBNALPMSL-UHFFFAOYSA-N
- SMILES
- C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCNC=O)NC(=O)C(CC3=CC=C(C=C3)O)N
- InChI
- InChI=1S/C31H40N6O7S/c32-23(16-21-9-11-22(39)12-10-21)28(41)36-24(8-4-5-14-33-19-38)29(42)34-18-27(40)35-26(17-20-6-2-1-3-7-20)30(43)37-25-13-15-45-31(25)44/h1-3,6-7,9-12,19,23-26,39H,4-5,8,13-18,32H2,(H,33,38)(H,34,42)(H,35,40)(H,36,41)(H,37,43)