
 LY307452

 51 52  0  0  0  0  0  0  0  0999 V2000
    4.0287   -4.1410   -0.4129 C   0  0  0  0  0
    2.7409   -3.6467   -0.6012 C   0  0  0  0  0
    2.5323   -2.2725   -0.7288 C   0  0  0  0  0
    3.6083   -1.3705   -0.6628 C   0  0  0  0  0
    4.9008   -1.8866   -0.4833 C   0  0  0  0  0
    5.1079   -3.2621   -0.3564 C   0  0  0  0  0
    3.3437    0.1249   -0.8107 C   0  0  0  0  0
    4.0374    0.9619    0.2966 C   0  0  0  0  0
    3.5157    2.4052    0.3363 C   0  0  0  0  0
    4.1813    3.2206    1.4518 C   0  0  0  0  0
    3.6258    4.6548    1.6081 C   0  0  0  0  0
    3.8962    5.5136    0.3512 C   0  0  0  0  0
    3.4718    6.9921    0.4333 C   0  0  0  0  0
    4.2920    7.7762    1.4759 C   0  0  0  0  0
    4.3201    7.5190    2.6698 O   0  0  0  0  0
    4.9942    8.8099    0.9528 O   0  0  0  0  0
    3.6176    7.5773   -0.9171 N   0  0  0  0  0
    2.1533    4.6036    1.9646 C   0  0  0  0  0
    1.2200    5.0102    1.2936 O   0  0  0  0  0
    1.9286    4.0267    3.1606 O   0  0  0  0  0
    3.6187    0.6123   -2.2311 C   0  0  0  0  0
    2.5562    0.7017   -3.1466 C   0  0  0  0  0
    2.7698    1.1504   -4.4514 C   0  0  0  0  0
    4.0495    1.5116   -4.8636 C   0  0  0  0  0
    5.1167    1.4163   -3.9742 C   0  0  0  0  0
    4.9050    0.9644   -2.6694 C   0  0  0  0  0
    4.1918   -5.2108   -0.3149 H   0  0  0  0  0
    1.8978   -4.3307   -0.6523 H   0  0  0  0  0
    1.5186   -1.9089   -0.8823 H   0  0  0  0  0
    5.7618   -1.2250   -0.4464 H   0  0  0  0  0
    6.1143   -3.6479   -0.2174 H   0  0  0  0  0
    2.2677    0.2690   -0.6284 H   0  0  0  0  0
    5.1267    0.9717    0.1750 H   0  0  0  0  0
    3.8424    0.4948    1.2716 H   0  0  0  0  0
    2.4302    2.3839    0.4860 H   0  0  0  0  0
    3.7016    2.8863   -0.6284 H   0  0  0  0  0
    5.2610    3.2747    1.2625 H   0  0  0  0  0
    4.0631    2.6841    2.4020 H   0  0  0  0  0
    4.1431    5.1105    2.4591 H   0  0  0  0  0
    3.3742    5.0628   -0.5026 H   0  0  0  0  0
    4.9708    5.4631    0.1270 H   0  0  0  0  0
    2.4196    7.0979    0.7102 H   0  0  0  0  0
    4.8259    8.8607   -0.0062 H   0  0  0  0  0
    4.5236    7.4457   -1.3558 H   0  0  0  0  0
    3.1896    8.4902   -1.0361 H   0  0  0  0  0
    0.9557    4.0641    3.2697 H   0  0  0  0  0
    1.5486    0.4212   -2.8473 H   0  0  0  0  0
    1.9362    1.2151   -5.1456 H   0  0  0  0  0
    4.2159    1.8602   -5.8791 H   0  0  0  0  0
    6.1178    1.6897   -4.2971 H   0  0  0  0  0
    5.7594    0.8905   -2.0026 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7 21  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
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 11 18  1  0  0  0
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 12 13  1  0  0  0
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 22 23  1  0  0  0
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 23 24  2  0  0  0
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 26 51  1  0  0  0
M  END

>  <Chemical Name>
LY307452

>  <PubChem CID>
6324634

>  <Formula>
C21H25NO4

>  <Molecular Weight>
355.434000

>  <IUPAC Name>
(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C(CCCC(CC(C(=O)O)N)C(=O)O)C2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(CCC[C@@H](C[C@@H](C(=O)O)N)C(=O)O)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1

>  <InChI Key>
DWLOVDOPFJPWNE-HKUYNNGSSA-N

