
 SCHEMBL3132248

 45 46  0  0  0  0  0  0  0  0999 V2000
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   -0.6912    1.5841    0.0534 C   0  0  0  0  0
    0.3603    1.4780   -1.0524 C   0  0  0  0  0
    1.3118    0.4926   -0.5206 N   0  0  0  0  0
    0.7071   -0.2833    0.5558 C   0  0  0  0  0
    2.6430    0.5170   -0.8614 C   0  0  0  0  0
    3.0621    1.2683   -1.7493 O   0  0  0  0  0
    3.6239   -0.4057   -0.1089 C   0  0  0  0  0
    4.3430   -1.3060   -1.1077 C   0  0  0  0  0
    3.3421   -2.2107   -1.7751 C   0  0  0  0  0
    2.8709   -3.2037   -1.2356 O   0  0  0  0  0
    2.9205   -1.8076   -3.0075 N   0  0  0  0  0
    4.5919    0.4708    0.5568 N   0  0  0  0  0
    4.4590    0.8184    1.8836 C   0  0  0  0  0
    3.6423    0.2913    2.6336 O   0  0  0  0  0
    5.5419    1.7707    2.4020 C   0  0  0  0  0
    6.8664    1.0546    2.6294 C   0  0  0  0  0
    7.9055    2.1633    2.4957 C   0  0  0  0  0
    7.2304    3.1513    1.5788 C   0  0  0  0  0
    7.7390    4.1335    1.0711 O   0  0  0  0  0
    5.9043    2.7921    1.4475 N   0  0  0  0  0
   -0.2968    1.0708   -2.3911 C   0  0  0  0  0
   -1.3637    1.5304   -2.7893 O   0  0  0  0  0
    0.4290    0.2560   -3.2088 N   0  0  0  0  0
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    4.8864   -0.7235   -1.8618 H   0  0  0  0  0
    3.4284   -1.1203   -3.5517 H   0  0  0  0  0
    2.2954   -2.4353   -3.5003 H   0  0  0  0  0
    5.1280    1.1103   -0.0250 H   0  0  0  0  0
    5.1859    2.2749    3.3074 H   0  0  0  0  0
    7.0461    0.2938    1.8583 H   0  0  0  0  0
    6.9120    0.5495    3.5988 H   0  0  0  0  0
    8.0998    2.6447    3.4587 H   0  0  0  0  0
    8.8370    1.7960    2.0584 H   0  0  0  0  0
    5.2580    3.4633    1.0467 H   0  0  0  0  0
    1.3964    0.0485   -3.0036 H   0  0  0  0  0
    0.0640    0.0734   -4.1335 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
  3 22  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3132248

>  <PubChem CID>
9905902

>  <Formula>
C14H21N5O5

>  <Molecular Weight>
339.352000

>  <IUPAC Name>
(2S)-N-[(2S)-4-amino-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
-3.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C2CCC(=O)N2)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N

>  <InChI Std. ID>
InChI=1S/C14H21N5O5/c15-10(20)6-8(18-13(23)7-3-4-11(21)17-7)14(24)19-5-1-2-9(19)12(16)22/h7-9H,1-6H2,(H2,15,20)(H2,16,22)(H,17,21)(H,18,23)/t7-,8-,9-/m0/s1

>  <InChI Key>
LLRIQFIHWHSMMB-CIUDSAMLSA-N

