
 CHEMBL3754768

 81 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3754768

>  <PubChem CID>
127035838

>  <Formula>
C27H46N4O4

>  <Molecular Weight>
490.689000

>  <IUPAC Name>
N-[(2S)-1-[[(2S,3S)-1-[bis(2-methylpropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)C(C(=O)N(CC(C)C)CC(C)C)NC(=O)C(CC1CCCCC1)NC(=O)C2=CC=NO2

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N(CC(C)C)CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C2=CC=NO2

>  <InChI Std. ID>
InChI=1S/C27H46N4O4/c1-7-20(6)24(27(34)31(16-18(2)3)17-19(4)5)30-25(32)22(15-21-11-9-8-10-12-21)29-26(33)23-13-14-28-35-23/h13-14,18-22,24H,7-12,15-17H2,1-6H3,(H,29,33)(H,30,32)/t20-,22-,24-/m0/s1

>  <InChI Key>
CFJBVSBKWMEWHE-SSPYTLHUSA-N

