67729-36-6 ((Boc-Phe-O-COO-isoBu)

CAS号:
67729-36-6
英文名称:
Boc-Phe-O-COO-isoBu
分子式:
C19H27NO6
分子量:
365.420786142349

Boc-Phe-O-COO-isoBu(67729-36-6)名称与标识符

名称

英文别名:
Boc-Phe-O-COO-isoBu;Boc-L-Phe-DL-Gly(OMe)-OMe;;Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, anhydride with 2-methylpropyl hydrogen carbonate (9CI);Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, anhydride with 2-methylpropyl hydrogen carbonate;

标识符

InChIKey:
KKYMADBQSKHLDY-UHFFFAOYSA-N
Inchi:
1S/C19H27NO6/c1-13(2)12-24-18(23)25-16(21)15(11-14-9-7-6-8-10-14)20-17(22)26-19(3,4)5/h6-10,13,15H,11-12H2,1-5H3,(H,20,22)
SMILES:
C(C(=O)OC(=O)OCC(C)C)(NC(=O)OC(C)(C)C)CC1C=CC=CC=1

Boc-Phe-O-COO-isoBu(67729-36-6)物化性质

实验特性

  • LogP : 3.84910
  • PSA : 90.93000
  • 酸度系数(pKa) : 10.74±0.46(Predicted)
  • 密度 : 1.128±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 365.18400