
 CHEMBL2037510

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2037510

>  <PubChem CID>
11719871

>  <Formula>
C28H36N4O3

>  <Molecular Weight>
476.621000

>  <IUPAC Name>
(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(2,6-dimethylpyridin-3-yl)-N,N-dimethylacetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)C1C(=O)NC(C(=O)N1C(C2=C(N=C(C=C2)C)C)C(=O)N(C)C)C3CC4=CC=CC=C4C3

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

>  <InChI Std. ID>
InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-14-19-10-8-9-11-20(19)15-21)27(34)32(24)25(28(35)31(5)6)22-13-12-17(3)29-18(22)4/h8-13,16,21,23-25H,7,14-15H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1

>  <InChI Key>
CEGJBJAALZUUPN-QKEQKLBSSA-N

