(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯结构式

(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯
中文名称:(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯
英文名称:9-​Oxa-​2,​5,​7-​triazaundec-​5-​enoic acid, 3-​carboxy-​6-​[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​-​10,​10-​dimethyl-​8-​oxo-​, 1-​(phenylmethyl) ester, (3R)​-
CAS No.:1931937-95-9
分子式:C22H32N4O8 分子量:480.51
(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯 数据
Mol:
  0  0  0  0  0  0
   13.0572   -3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0405   -3.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934   -2.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8171   -3.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480   -2.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6597   -2.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -0.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -0.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003   -1.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202   -2.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140   -2.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18  7  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 20  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 29  2  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 33 13  1  0  0  0  0
 27 34  1  0     0  0
 34 17  1  0     0  0
M  END                                
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(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯 Smile 编码:
CC(C)(OC(N/C(/NC(=O)OC(C)(C)C)=N\C[C@H](C(=O)O)NC(OCC1C=CC=CC=1)=O)=O)C
(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯 InChi 编码:
1S/C22H32N4O8/c1-21(2,3)33-19(30)25-17(26-20(31)34-22(4,5)6)23-12-15(16(27)28)24-18(29)32-13-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,24,29)(H,27,28)(H2,23,25,26,30,31)/t15-/m1/s1
(3R)-3-羧基-6-[[(1,1-二甲基乙氧基)羰基]氨基]-10,10-二甲基-8-氧代-9-氧杂-2,5,7-三氮杂-5-烯酸-1-(苯基甲基)酯 InChiKey 编码:
SQZSZZZAVJXPOO-OAHLLOKOSA-N