
 GB88

 82 86  0  0  0  0  0  0  0  0999 V2000
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    4.6325    1.4749   -2.6601 O   0  0  0  0  0
    6.5122    1.3190   -1.3739 N   0  0  0  0  0
    7.2336    1.0576   -0.1300 C   0  0  0  0  0
    8.2742    2.1450    0.0935 C   0  0  0  0  0
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    8.8184    1.4694   -2.3318 C   0  0  0  0  0
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   12.0764    4.6155   -1.0475 C   0  0  0  0  0
   11.4699    5.7928   -1.4896 C   0  0  0  0  0
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    9.9283    3.4968   -1.2528 C   0  0  0  0  0
    4.5485    2.3424    0.6660 N   0  0  0  0  0
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    2.6023   -1.0438   -0.6954 H   0  0  0  0  0
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   12.6733    1.8591   -0.2095 H   0  0  0  0  0
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M  END

>  <Chemical Name>
GB88

>  <PubChem CID>
73755230

>  <Formula>
C32H42N4O4

>  <Molecular Weight>
546.712000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)C(CC4CCCCC4)NC(=O)C5=CC=NO5

>  <Isomeric SMILES>
CC[C@@H](C)[C@@H](C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)[C@H](CC4CCCCC4)NC(=O)C5=CC=NO5

>  <InChI Std. ID>
InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26+,28+/m1/s1

>  <InChI Key>
DCUDDCGUKZLQLN-ZEZZXZOMSA-N

