
 BDBM50050529

 55 58  0  0  0  0  0  0  0  0999 V2000
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    5.8518    1.4000   -0.7175 C   0  0  0  0  0
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    5.6394    0.9128    1.5700 C   0  0  0  0  0
    5.1268    0.5814    2.6266 O   0  0  0  0  0
    8.0280    1.3848    2.3399 C   0  0  0  0  0
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    1.3015   -1.4494    0.4228 H   0  0  0  0  0
    1.5248   -0.4890    1.9088 H   0  0  0  0  0
    3.5939   -0.4751    1.0392 H   0  0  0  0  0
    4.1715   -0.6804   -1.9641 H   0  0  0  0  0
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    7.8248    0.7024   -0.2397 H   0  0  0  0  0
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   -1.3986    2.8220   -2.5631 H   0  0  0  0  0
  1  5  1  0  0  0
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  2 33  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
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M  END

>  <Chemical Name>
BDBM50050529

>  <PubChem CID>
44286857

>  <Formula>
C21H26N4O4

>  <Molecular Weight>
398.463000

>  <IUPAC Name>
(2S)-1-[2-[(5R)-2,6-dioxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N3CCC4(C3=O)CCC(=O)N4)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)C(CC2=CC=CC=C2)N3CC[C@@]4(C3=O)CCC(=O)N4)C(=O)N

>  <InChI Std. ID>
InChI=1S/C21H26N4O4/c22-18(27)15-7-4-11-24(15)19(28)16(13-14-5-2-1-3-6-14)25-12-10-21(20(25)29)9-8-17(26)23-21/h1-3,5-6,15-16H,4,7-13H2,(H2,22,27)(H,23,26)/t15-,16?,21+/m0/s1

>  <InChI Key>
AVSGKJVHEXVAHZ-VTBIZFIGSA-N

