
 CHEMBL61281

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.3910   -1.7561    1.2865 C   0  0  0  0  0
   -0.9299   -0.3563    0.9926 C   0  0  0  0  0
    0.0078    0.2260    0.0000 N   0  0  0  0  0
    1.3399   -0.2706    0.4231 C   0  0  0  0  0
    1.1317   -1.6465    1.0952 C   0  0  0  0  0
    1.8719   -1.7180    2.4465 C   0  0  0  0  0
    2.6513   -0.9072    2.9206 O   0  0  0  0  0
    1.6420   -2.8869    3.0942 O   0  0  0  0  0
    1.6330   -2.7653    0.2504 N   0  0  0  0  0
   -0.2838   -0.1779   -1.3857 C   0  0  0  0  0
   -1.6087    0.3106   -1.9370 C   0  0  0  0  0
   -2.2819   -0.4673   -2.8945 C   0  0  0  0  0
   -3.4929   -0.0422   -3.4663 C   0  0  0  0  0
   -4.1631   -0.8204   -4.4245 C   0  0  0  0  0
   -5.3652   -0.3847   -4.9839 C   0  0  0  0  0
   -5.9133    0.8325   -4.5907 C   0  0  0  0  0
   -5.2583    1.6184   -3.6410 C   0  0  0  0  0
   -4.0453    1.1962   -3.0725 C   0  0  0  0  0
   -3.3642    1.9801   -2.1291 C   0  0  0  0  0
   -2.1538    1.5489   -1.5791 C   0  0  0  0  0
   -0.9560    0.5162    2.2536 C   0  0  0  0  0
   -0.5982    0.1836    3.3740 O   0  0  0  0  0
   -1.4409    1.7566    2.0366 O   0  0  0  0  0
   -0.6763   -2.1159    2.2813 H   0  0  0  0  0
   -0.8285   -2.4573    0.5629 H   0  0  0  0  0
   -1.9681   -0.4153    0.6463 H   0  0  0  0  0
    2.0531   -0.3092   -0.4101 H   0  0  0  0  0
    1.7539    0.4643    1.1242 H   0  0  0  0  0
    2.1966   -2.8059    3.8999 H   0  0  0  0  0
    1.0708   -2.8450   -0.5935 H   0  0  0  0  0
    1.4921   -3.6354    0.7713 H   0  0  0  0  0
   -0.2396   -1.2685   -1.4883 H   0  0  0  0  0
    0.4904    0.2359   -2.0453 H   0  0  0  0  0
   -1.8530   -1.4182   -3.2059 H   0  0  0  0  0
   -3.7502   -1.7740   -4.7456 H   0  0  0  0  0
   -5.8715   -0.9955   -5.7266 H   0  0  0  0  0
   -6.8495    1.1734   -5.0249 H   0  0  0  0  0
   -5.7000    2.5684   -3.3488 H   0  0  0  0  0
   -3.7673    2.9409   -1.8170 H   0  0  0  0  0
   -1.6422    2.1851   -0.8586 H   0  0  0  0  0
   -1.3467    2.2073    2.9010 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 20  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61281

>  <PubChem CID>
44302609

>  <Formula>
C17H18N2O4

>  <Molecular Weight>
314.341000

>  <IUPAC Name>
(2R,4R)-4-amino-1-(naphthalen-2-ylmethyl)pyrrolidine-2,4-dicarboxylic acid

>  <XlogP>
-3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(N(CC1(C(=O)O)N)CC2=CC3=CC=CC=C3C=C2)C(=O)O

>  <Isomeric SMILES>
C1[C@@H](N(C[C@]1(C(=O)O)N)CC2=CC3=CC=CC=C3C=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)/t14-,17-/m1/s1

>  <InChI Key>
IHVKGWYIKGRPEY-RHSMWYFYSA-N

