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L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-,cyclic (1®5)-disulfide (9CI) | 150747-53-8

L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-,cyclic (1®5)-disulfide (9CI)结构式图片|150747-53-8结构式图片
L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-,cyclic (1®5)-disulfide (9CI)
150747-53-8
C43H60N8O8S2
881.115300000001
164490
名称和标识符
InChIKey FTKJTBHBOQHLOW-UHFFFAOYSA-N
Inchi InChI=1S/C43H60N8O8S2/c1-27(53)37-42(59)50-35(38(55)45-20-21-52)26-60-61-43(17-9-3-10-18-43)24-36(54)47-33(22-28-12-4-2-5-13-28)40(57)49-34(23-29-25-46-31-15-7-6-14-30(29)31)41(58)48-32(39(56)51-37)16-8-11-19-44/h2,4-7,12-15,25,27,32-35,37,46,52-53H,3,8-11,16-24,26,44H2,1H3,(H,45,55)(H,47,54)(H,48,58)(H,49,57)(H,50,59)(H,51,56)
SMILES NCCCCC1NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2C=CC=CC=2)NC(=O)CC2(CCCCC2)SSCC(C(NCCO)=O)NC(=O)C(C(O)C)NC1=O
别名信息
- 中文别名 -
- 英文别名 -
  • 16-(4-aminobutyl)-22-benzyl-13-(1-hydroxyethyl)-N-(2-hydroxyethyl)-19-(1H-indol-3-ylmethyl)-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
  • L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl...
  • L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-,cyclic (1&
  • 16-(4-aminobutyl)-22-benzyl-13-(1-hydroxyethyl)-N-(2-hydroxyethyl)-19-(1H-indol-3-ylmethyl)-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carboxamide
  • 5)-disulfide (9CI)
  • Ass 52
  • Ass-52
  • L-Cysteinamide, N-((1-mercaptocyclohexyl)acetyl)-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-, cyclic (1-5)-disulfide
  • L-Cysteinamide,N-[(1-mercaptocyclohexyl)acetyl]-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-,cyclic (1&reg
  • 150747-53-8
  • DTXSID20934055
  • 16-(4-Aminobutyl)-22-benzyl-12,15,18,21,24-pentahydroxy-13-(1-hydroxyethyl)-N-(2-hydroxyethyl)-19-[(1H-indol-3-yl)methyl]-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosa-11,14,17,20,23-pentaene-10-carboximidic acid
  • ASS 52
物化性质
计算特性
精确分子量 880.39755325g/mol
氢键供体数量 10
氢键受体数量 11
可旋转化学键数量 12
同位素质量 880.39755325g/mol
重原子数量 61
复杂度 1470
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 6
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2
拓扑分子极性表面积 308Ų
专业数据库参考
PubChemId 164490
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