78525-16-3 (ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic acid,Ethyl (2s)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic Acid)

CAS号:
78525-16-3
中文名称:
ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic acid
英文名称:
Ethyl (2s)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic Acid
分子式:
C24H45N5O6
分子量:
499.644006490707

ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic acid(78525-16-3)名称与标识符

名称

英文别名:
5-Oxo-DL-proline, compound with ethyl N2-undecanoyl-L-argininate (1:1);ethyl (2S)-5-guanidino-2-(undecanoylamino)pentanoate;(2S)-5-oxopyrrolidine-2-carboxylic acid;ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate,5-oxopyrrolidine-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;DTXSID00999824;EINECS 278-935-0;5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--N-(5-carbamimidamido-1-ethoxy-1-oxopentan-2-yl)undecanimidic acid (1/1);78525-16-3;

标识符

InChIKey:
YNVFNJPIGOYERD-NTISSMGPSA-N
Inchi:
1S/C19H38N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-14-17(24)23-16(18(25)26-4-2)13-12-15-22-19(20)21;7-4-2-1-3(6-4)5(8)9/h16H,3-15H2,1-2H3,(H,23,24)(H4,20,21,22);3H,1-2H2,(H,6,7)(H,8,9)/t16-;/m0./s1
SMILES:
O=C(CCCCCCCCCC)N[C@H](C(=O)OCC)CCC/N=C(\N)/N.O=C1CCC(C(=O)O)N1

ethyl (2S)-5-(diaminomethylideneamino)-2-(undecanoylamino)pentanoate;5-oxopyrrolidine-2-carboxylic acid(78525-16-3)物化性质

计算特性

  • 精确分子量 : 499.33698417g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 18
  • 同位素质量 : 499.33698417g/mol
  • 重原子数量 : 35
  • 复杂度 : 564
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 1
  • 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 : 2
  • 拓扑分子极性表面积 : 186Ų