714229-20-6 (Advantame®,Advantame Standard)

CAS号:
714229-20-6
中文名称:
Advantame®
英文名称:
Advantame Standard
分子式:
C24H32N2O8
分子量:
476.519487380981
植物源:
相关分类:

Advantame®(714229-20-6)名称与标识符

名称

中文别名:
爱德万甜;
英文别名:
Advantame?;(3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid,hydrate;AdvantaMe;ADVANTAME(P);Advantame®;N-[N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-α-L-aspartyl]-L-phenylalanine 1-methyl ester monohydrate;advantame hydrate;3ZA6810AWX;L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, hydrate (1:1);L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, monohydrate;Q27258250;Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-alpha-aspartyl-, 2-methyl ester, monohydrate;4-Hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)propyl]amino}-4-[(1-methoxy-1-oxo-3-phenylpropan-2;Unii-3ZA6810awx;Advantame Standard;4-Hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)propyl]amino}-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid--water (1/1);DA-50248;714229-20-6;CS-0835016;FEMA NO. 4716;L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, HYDRATE (1:1);L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE;N-(N-(3-(3-HYDROXY-4-METHOXYPHENYL) PROPYL)-L-.ALPHA.-ASPARTYL)-L-PHENYLALANINE-1-METHYL ESTER, MONOHYDRATE;MFCD28144745;ADVANTAME [USP-RS];INS-969;(S)-3-((3-(3-Hydroxy-4-methoxyphenyl)propyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid hydrate;HY-122351A;SCHEMBL2156362;PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE;INS NO.969;DTXSID00991787;E-969;NS00127040;EX-A8009;G90455;

标识符

InChIKey:
NQQIEOGMDRFTDZ-HLRBRJAUSA-N
Inchi:
1S/C24H30N2O7.H2O/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16;/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29);1H2/t18-,19-;/m0./s1
SMILES:
O=C([C@H](CC(=O)O)NCCCC1C=CC(=C(C=1)O)OC)N[C@H](C(=O)OC)CC1C=CC=CC=1.O

Advantame®(714229-20-6)物化性质

实验特性

  • FEMA : 4716 | N-[N-[3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL]-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYLESTER, MONOHYDRATE

计算特性

  • 精确分子量 : 476.21586598g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 14
  • 同位素质量 : 476.21586598g/mol
  • 重原子数量 : 34
  • 复杂度 : 624
  • 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 : 135

Advantame®(714229-20-6)安全信息