128018-44-0 ((2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷,(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane)

CAS号:
128018-44-0
中文名称:
(2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷
英文名称:
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
分子式:
C18H19NO3
分子量:
297.348365068436

(2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷(128018-44-0)名称与标识符

名称

中文别名:
(2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷;(1S,2S)-CBZ环氧化物;
英文别名:
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane;(2S,3S)-1,2-Epoxy-3-(benzyloxycarbonyl-amino)-4-phenylbutane;(1S,1'S)-1-(1'-N-benzyloxycarbonylamino-2'-phenyl)ethyloxirane;(1S,2S)-1-(N-benzyloxycarbonyl)-amino-2-phenylethyl-oxirane;(1S,2S)-Cbz epoxide;[(1S)-1-(2S)-oxiranyl-2-phenylethyl]-carbaMic acid phenylMethyl ester;[S-(R*,R*)]-(1-oxiranyl-2-phenylethyl) carbamic acid phenylmethyl ester;erythro N-Cbz-phenylalanyl epoxide;N-benzyloxycarbonyl-3(S)-amino-1,2(S)-epoxy-4-phenylbutane;benzyl ((S)-1-((S)-oxiran-2-yl)-2-phenylethyl)carbamate;benzyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate;3(S)-[N-(benzyloxycarbonyl) amino]-1,2(S)-epoxy-4-phenylbutane;3(S)-[N-(benzyloxycarbonyl)amino]-1,2(S) -epoxy-4-phenylbutane;Carbamic acid, N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester;N-benzyloxycarbonyl-3 (S) -amino-1, 2 (S) -epoxy-4-phenylbutane;benzyl (S)-1-((S)-oxiran-2-yl)-2-phenylethyl-carbamate;3(S)-[N-(benzyloxycarbonyl)amino]-1,2(S)-epoxy-4-phenylbutane;3(S)-[N-(benzyloxycarbonyl)amino] -1,2(S) -epoxy-4-phenylbutane;3(S)-(N-(benzyloxycarbonyl)amino]-1,2(S)-epoxy-4-phenylbutane;N-benzyloxycarbonyl 3(S)-amino-1,2-(S)-epoxy-4-phenylbutane;((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid benzyl ester;Phenylmethyl N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]carbamate;BDBM50284944;CHEMBL298965;N-Cbz-3-(S)-amino-1,2-(S)-epoxy-4-phenylbutane;DTXSID301172108;N-benzyloxycarbonyl-3(S)-amino-1,2 (S) -epoxy-4-phenylbutane;benzyl (1S)-1-[(2S)-oxiranyl]-2-phenylethylcarbamate;N-benzyloxycarbonyl 3 (S)-amino-1,2-(S)-epoxy-4-phenylbutane;3(S)-(benzyloxyformamido)-1,2(S)-epoxy-4-phenylbutane;128018-44-0;N-benzyloxycarbonyl-3 (S) -amino-1,2(s) -epoxy-4-phenylbutane;N-benzyloxycarbonyl-3 (S)-amino-1,2(S)-epoxy-4-phenylbutane;N-benzyloxycarbonyl-3(S)-amino-1,2(S)-epoxy-4- phenylbutane;N-benzyloxycarbonyl-3(S)-amino-1,2(S)epoxy-4-phenylbutane;SCHEMBL2575768;DURMMNMFHRIMJD-DLBZAZTESA-N;BCP25736;

标识符

MDL:
MFCD09750967
InChIKey:
DURMMNMFHRIMJD-DLBZAZTESA-N
Inchi:
1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
SMILES:
O1C[C@@H]1[C@H](CC1C=CC=CC=1)NC(=O)OCC1C=CC=CC=1

(2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷(128018-44-0)物化性质

实验特性

  • LogP : 3.31380
  • PSA : 50.86000

计算特性

  • 精确分子量 : 297.13600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 8
  • 同位素质量 : 297.13649347g/mol
  • 重原子数量 : 22
  • 复杂度 : 348
  • 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) : 3.2
  • 拓扑分子极性表面积 : 50.9Ų