1354823-36-1 (N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester,2-ethylbutyl (2S)-2-{[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]amino}propanoate)

CAS号:
1354823-36-1
中文名称:
N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester
英文名称:
2-ethylbutyl (2S)-2-{[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]amino}propanoate
分子式:
C21H27N2O7P
分子量:
450.422046899796

N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester(1354823-36-1)名称与标识符

名称

中文别名:
瑞德西韦中间体;(S)-2-乙基丁基 2-(((S)-(4-硝基苯氧基)(苯氧基)磷酰基)氨基)丙酸酯;瑞德西韦6号中间体;
英文别名:
N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine2-ethylbutylester;N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester;CSURKLFFMMBEFL-YDIHDLSKSA-N;(2S)-2-ethylbutyl 2-(((4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate;(S)-2-Ethylbutyl 2-(((S)-(4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate;2-Ethylbutyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-{[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]amino}propanoate;D79394;N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-2-ethylbutyl Ester L-Alanine;2-ETHYLBUTYL (2S)-2-{[(S)-(4-NITROPHENOXY)(PHENOXY)PHOSPHORYL]AMINOPROPANOATE;CSURKLFFMMBEFL-ZYSBOAIWSA-N;SCHEMBL17712317;L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 2-ethylbutyl ester; N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 2-Ethylbutyl Ester;CS-0114151;Remdesivir Impurity 4;2-ethylbutyl ((S)-(4-nitrophenoxy) (phenoxy)phosphoryl)-L-alaninate;EN300-26967418;2-ethylbutyl ((S)-(4-nitrophenoxy)(phenoxy)phosphoryl)-L-alaninate;2-Ethylbutyl (2s)-2-([(s)-(4-nitrophenoxy)(phenoxy)phosphoryl]amino)propanoate;1354823-36-1;PD150571;

标识符

MDL:
MFCD32670644
InChIKey:
CSURKLFFMMBEFL-YDIHDLSKSA-N
Inchi:
1S/C21H27N2O7P/c1-4-17(5-2)15-28-21(24)16(3)22-31(27,29-19-9-7-6-8-10-19)30-20-13-11-18(12-14-20)23(25)26/h6-14,16-17H,4-5,15H2,1-3H3,(H,22,27)/t16-,31?/m0/s1
SMILES:
P(N[C@@H](C)C(=O)OCC(CC)CC)(=O)(OC1C=CC=CC=1)OC1C=CC(=CC=1)[N+](=O)[O-]

N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester(1354823-36-1)物化性质

计算特性

  • 精确分子量 : 450.15558820g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 12
  • 同位素质量 : 450.15558820g/mol
  • 重原子数量 : 31
  • 复杂度 : 609
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 5.1
  • 拓扑分子极性表面积 : 120

N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester(1354823-36-1)参考资料

Reaxys RN:
PubChem CID: