
 CHEMBL372554

 79 82  0  0  0  0  0  0  0  0999 V2000
    4.4969   -2.9001    0.3718 C   0  0  0  0  0
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    9.3143    3.0667   -1.6887 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL372554

>  <PubChem CID>
11685194

>  <Formula>
C31H40N4O4

>  <Molecular Weight>
532.685000

>  <IUPAC Name>
(2R)-2-(4-acetamidophenyl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)N1C(C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C)C3CC4=CC=CC=C4C3

>  <Isomeric SMILES>
CC(C)C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C)C3CC4=CC=CC=C4C3

>  <InChI Std. ID>
InChI=1S/C31H40N4O4/c1-18(2)15-25-28(37)33-26(23-16-21-9-7-8-10-22(21)17-23)30(39)35(25)27(29(38)34-31(4,5)6)20-11-13-24(14-12-20)32-19(3)36/h7-14,18,23,25-27H,15-17H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1

>  <InChI Key>
AUWMENUQFJRYPU-ZONZVBGPSA-N

