4-[[(1R)-2-[[(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
4-[[(1R)-2-[[(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid · CAS 130325-35-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-[[(1R)-2-[[(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
- CAS
- 130325-35-8
- CID
- 21029444
- IUPAC 名称
- 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-[[(1R)-2-[[(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
- CAS
- 130325-35-8
- CID
- 21029444
- IUPAC 名称
- 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
分子属性
- 分子式
- C35H44N4O6
- 分子量
- 616.7 g/mol
- 精确质量
- 616.32608514 Da
- 单同位素质量
- 616.32608514 Da
- XLogP
- 4.8
- 极性表面积
- 150 Ų
- 氢键供体
- 5
- 氢键受体
- 6
- 可旋转键
- 13
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1110
结构标识
- InChIKey
- NNTPEWZUKRSTMM-UHFFFAOYSA-N
- SMILES
- CC1(C2CCC1(C(C2)OC(=O)NC(C)(CC3=CNC4=CC=CC=C43)C(=O)NCC(C5=CC=CC=C5)NC(=O)CCC(=O)O)C)C
- InChI
- InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)