
 L-arginine

 26 25  0  0  0  0  0  0  0  0999 V2000
    0.7903   -0.1209    0.1452 C   0  0  0  0  0
    0.7495   -1.6536    0.1971 C   0  0  0  0  0
   -0.6792   -2.2039    0.2784 C   0  0  0  0  0
   -0.6699   -3.7337    0.1610 C   0  0  0  0  0
   -1.0282   -4.5278    1.0186 O   0  0  0  0  0
   -0.2515   -4.1760   -1.0410 O   0  0  0  0  0
   -1.3232   -1.8037    1.5535 N   0  0  0  0  0
    2.2114    0.4257   -0.0021 C   0  0  0  0  0
    2.7690   -0.0339   -1.2692 N   0  0  0  0  0
    3.8168    0.5348   -1.7268 C   0  0  0  0  0
    4.5533    1.5447   -1.2155 N   0  0  0  0  0
    4.3378    0.1300   -2.9038 N   0  0  0  0  0
    0.1780    0.2309   -0.6949 H   0  0  0  0  0
    0.3542    0.2948    1.0603 H   0  0  0  0  0
    1.3411   -2.0107    1.0507 H   0  0  0  0  0
    1.2370   -2.0600   -0.6976 H   0  0  0  0  0
   -1.2921   -1.8150   -0.5424 H   0  0  0  0  0
   -0.3043   -5.1517   -0.9711 H   0  0  0  0  0
   -0.8016   -2.2378    2.3184 H   0  0  0  0  0
   -2.2411   -2.2518    1.5953 H   0  0  0  0  0
    2.8316    0.0782    0.8327 H   0  0  0  0  0
    2.1607    1.5205    0.0359 H   0  0  0  0  0
    4.3812    1.7303   -0.2361 H   0  0  0  0  0
    5.5435    1.4278   -1.3969 H   0  0  0  0  0
    3.6989   -0.5242   -3.3484 H   0  0  0  0  0
    4.5342    0.9066   -3.5230 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
M  END

>  <Chemical Name>
L-arginine

>  <PubChem CID>
6322

>  <Formula>
C6H14N4O2

>  <Molecular Weight>
174.204000

>  <IUPAC Name>
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

>  <XlogP>
-4.200

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CC(C(=O)O)N)CN=C(N)N

>  <Isomeric SMILES>
C(C[C@@H](C(=O)O)N)CN=C(N)N

>  <InChI Std. ID>
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

>  <InChI Key>
ODKSFYDXXFIFQN-BYPYZUCNSA-N

