L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2)结构式

L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2)
中文名称:L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2)
英文名称:L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2)
CAS No.:1459196-65-6
分子式: 分子量:
L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2) 数据
Mol:
 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4731   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6071    2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831    5.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3156    5.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4481    5.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4481    4.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3156    3.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831    4.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3681    5.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    6.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6331    5.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6331    4.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3681    4.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  2  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
M  END                                
  如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2) Smile 编码:
O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.CC(C)(CC(N)C(=O)OCC)F.C1C=CC=CN=1.C1C=CC=CN=1
L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2) InChi 编码:
InChI=1S/C8H16FNO2.2C5H5N.4H2O4S/c1-4-12-7(11)6(10)5-8(2,3)9;2*1-2-4-6-5-3-1;4*1-5(2,3)4/h6H,4-5,10H2,1-3H3;2*1-5H;4*(H2,1,2,3,4)
L-Leucine, 4-fluoro-, ethyl ester, compd. with pyridine, sulfate (2:1:2) InChiKey 编码:
MNUBWXFWWTXHEO-UHFFFAOYSA-N