
 F-L-Leu

 49 51  0  0  0  0  0  0  0  0999 V2000
    5.4679    8.7116    1.5760 C   0  0  0  0  0
    4.4892    8.3841    2.7044 C   0  0  0  0  0
    3.5048    9.5487    2.8642 C   0  0  0  0  0
    3.6954    7.0814    2.4717 C   0  0  0  0  0
    4.5117    5.7815    2.5383 C   0  0  0  0  0
    3.5204    4.6089    2.5899 C   0  0  0  0  0
    2.7839    4.3265    3.5224 O   0  0  0  0  0
    3.3992    3.9442    1.4161 O   0  0  0  0  0
    5.3714    5.6272    1.3732 N   0  0  0  0  0
    6.6906    5.3181    1.4618 C   0  0  0  0  0
    7.3653    5.3362    2.4798 O   0  0  0  0  0
    7.1419    5.0096    0.2267 O   0  0  0  0  0
    8.5465    4.7336    0.1016 C   0  0  0  0  0
    9.3856    6.0125   -0.0470 C   0  0  0  0  0
    9.0474    6.8019   -1.3121 C   0  0  0  0  0
    7.8613    7.4425   -1.6390 C   0  0  0  0  0
    7.7846    8.1096   -2.8629 C   0  0  0  0  0
    8.8836    8.1348   -3.7361 C   0  0  0  0  0
   10.0830    7.5024   -3.3950 C   0  0  0  0  0
   10.1608    6.8434   -2.1784 C   0  0  0  0  0
   11.2646    6.1441   -1.5579 C   0  0  0  0  0
   12.5523    5.9131   -2.0141 C   0  0  0  0  0
   13.4348    5.2093   -1.1896 C   0  0  0  0  0
   13.0288    4.7550    0.0762 C   0  0  0  0  0
   11.7304    4.9855    0.5369 C   0  0  0  0  0
   10.8544    5.6701   -0.2921 C   0  0  0  0  0
    6.3340    8.0468    1.5946 H   0  0  0  0  0
    5.8585    9.7300    1.6776 H   0  0  0  0  0
    4.9880    8.6318    0.5948 H   0  0  0  0  0
    5.0562    8.2940    3.6393 H   0  0  0  0  0
    2.8751    9.6594    1.9745 H   0  0  0  0  0
    4.0358   10.4931    3.0237 H   0  0  0  0  0
    2.8491    9.3881    3.7265 H   0  0  0  0  0
    3.1689    7.1388    1.5089 H   0  0  0  0  0
    2.9094    7.0285    3.2381 H   0  0  0  0  0
    5.1142    5.7375    3.4521 H   0  0  0  0  0
    2.6885    3.2906    1.5901 H   0  0  0  0  0
    4.9344    5.3620    0.4990 H   0  0  0  0  0
    8.6556    4.0948   -0.7836 H   0  0  0  0  0
    8.8865    4.1318    0.9543 H   0  0  0  0  0
    9.2922    6.6783    0.8186 H   0  0  0  0  0
    7.0115    7.4329   -0.9652 H   0  0  0  0  0
    6.8649    8.6178   -3.1429 H   0  0  0  0  0
    8.8026    8.6595   -4.6852 H   0  0  0  0  0
   10.9303    7.5390   -4.0711 H   0  0  0  0  0
   12.8772    6.2658   -2.9871 H   0  0  0  0  0
   14.4492    5.0144   -1.5301 H   0  0  0  0  0
   13.7358    4.2159    0.7030 H   0  0  0  0  0
   11.4227    4.6336    1.5165 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 41  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
F-L-Leu

>  <PubChem CID>
4308

>  <Formula>
C21H23NO4

>  <Molecular Weight>
353.418000

>  <IUPAC Name>
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

>  <Isomeric SMILES>
CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

>  <InChI Std. ID>
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)

>  <InChI Key>
CBPJQFCAFFNICX-UHFFFAOYSA-N

