5910-52-1 ((L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1))

CAS号:
5910-52-1
英文名称:
L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1)
分子式:
C14H19ClN2O5
分子量:
330.764063119888

L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1)(5910-52-1)名称与标识符

名称

英文别名:
L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1);1-methyl N-L-alpha-aspartyl-3-phenyl-L-alaninate monohydrochloride;HCl*H-Asp-Phe-OMe;L-α-aspartyl-L-phenylalanine methyl ester hydrochloride;α-L-aspartyl-L phenylalanine methyl ester hydrochloride;α-l-aspartyl-l-phenylalanine methyl ester hydrochloride;Aspartam hydrochloride;MH4IO18KU0;L-PHENYLALANINE, L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDROCHLORIDE;5910-52-1;Aspartame HCl;DTXSID20974552;l-aspartylphenylalanine methyl ester hydrochloride;alpha-L-Aspartyl-L-Phenylalanine Methyl Ester Hydrochloride;NS00082283;Usal;Q27284029;Aspartame Hydrochloride;L-ASPARTYL-L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE;3-Amino-4-hydroxy-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid--hydrogen chloride (1/1);EINECS 227-623-2;AAQFSZFQCXLMNT-ACMTZBLWSA-N;UNII-MH4IO18KU0;SCHEMBL3843933;

标识符

InChIKey:
AAQFSZFQCXLMNT-ACMTZBLWSA-N
Inchi:
1S/C14H18N2O5.ClH/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);1H/t10-,11-;/m0./s1
SMILES:
Cl.O(C)C([C@H](CC1C=CC=CC=1)NC([C@H](CC(=O)O)N)=O)=O

L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1)(5910-52-1)物化性质

实验特性

  • LogP : 1.58210
  • PSA : 118.72000

计算特性

  • 精确分子量 : 330.09800
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 8
  • 同位素质量 : 330.0982494g/mol
  • 重原子数量 : 22
  • 复杂度 : 380
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 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 : 119Ų

L-Phenylalanine, L-a-aspartyl-, 2-methyl ester,hydrochloride (1:1)(5910-52-1)上下游

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