(S,R,S)-AHPC-C9-NH2hydrochloride结构式

(S,R,S)-AHPC-C9-NH2hydrochloride
中文名称:(S,R,S)-AHPC-C9-NH2hydrochloride
英文名称:(S,R,S)-AHPC-C9-NH2hydrochloride
CAS No.:2376139-50-1
分子式:C32H50ClN5O4S 分子量:636.29
(S,R,S)-AHPC-C9-NH2hydrochloride 数据
Mol:
0  0  0  0  0
   10.0666   -4.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5563   -0.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2395   -1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1096   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9428   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7890   -1.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4807   -1.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3178   -1.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1802   -1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9940   -1.2704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6437   -1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075   -1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1012   -6.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -6.3250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 16  1  1  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 42  1  6  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 26  1  1  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 30  1  0  0  0  0
 29 22  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 41  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 35  1  0  0  0  0
 41 30  1  0  0  0  0
M  END                                
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(S,R,S)-AHPC-C9-NH2hydrochloride Smile 编码:
C1=NC(C)=C(C2=CC=C(C=C2)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(CCCCCCCCCN)=O)C(C)(C)C)S1.Cl
(S,R,S)-AHPC-C9-NH2hydrochloride InChi 编码:
1S/C32H49N5O4S.ClH/c1-22-28(42-21-35-22)24-15-13-23(14-16-24)19-34-30(40)26-18-25(38)20-37(26)31(41)29(32(2,3)4)36-27(39)12-10-8-6-5-7-9-11-17-33;/h13-16,21,25-26,29,38H,5-12,17-20,33H2,1-4H3,(H,34,40)(H,36,39);1H/t25-,26+,29-;/m1./s1
(S,R,S)-AHPC-C9-NH2hydrochloride InChiKey 编码:
CXWPAWUFEPOOLS-DDLJGEAHSA-N