110261-50-2 ((D-Glutamic acid,N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-,diethyl ester, (S)-)

CAS号:
110261-50-2
英文名称:
D-Glutamic acid,N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-,diethyl ester, (S)-
分子式:
C26H36N2O10
分子量:
536.571448326111

D-Glutamic acid,N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-,diethyl ester, (S)-(110261-50-2)名称与标识符

名称

英文别名:
D-Glutamic acid,N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-,diethyl ester, (S)-;D-Glutamic acid, N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-, diethyl ester, (S)- (9CI);

标识符

InChIKey:
FQLVTZLYFJWGPI-BGYRXZFFSA-N
Inchi:
1S/C26H36N2O10/c1-5-35-21(29)15-13-19(25(33)37-7-3)27-23(31)17-11-9-10-12-18(17)24(32)28-20(26(34)38-8-4)14-16-22(30)36-6-2/h9-12,19-20H,5-8,13-16H2,1-4H3,(H,27,31)(H,28,32)/t19-,20+
SMILES:
C(OCC)(=O)[C@@H](CCC(OCC)=O)NC(=O)C1=CC=CC=C1C(N[C@H](C(OCC)=O)CCC(OCC)=O)=O

D-Glutamic acid,N-[2-[[[4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]carbonyl]benzoyl]-,diethyl ester, (S)-(110261-50-2)物化性质

实验特性

  • PSA : 163.4
  • 沸点 : 714.3±60.0 °C(Predicted)
  • 酸度系数(pKa) : 12.13±0.46(Predicted)
  • 密度 : 1.195±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 536.23708