
 CHEMBL293178

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL293178

>  <PubChem CID>
44303237

>  <Formula>
C32H38N4O5S

>  <Molecular Weight>
590.739000

>  <IUPAC Name>
2-adamantyl N-[1-[[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-[4-(thiadiazol-4-yl)phenyl]propan-2-yl]carbamate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(CC1=CC=C(C=C1)C2=CSN=N2)(C(=O)NC(CO)C(C3=CC=CC=C3)O)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
CC(CC1=CC=C(C=C1)C2=CSN=N2)(C(=O)N[C@H](CO)[C@@H](C3=CC=CC=C3)O)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C32H38N4O5S/c1-32(16-19-7-9-22(10-8-19)27-18-42-36-35-27,30(39)33-26(17-37)28(38)23-5-3-2-4-6-23)34-31(40)41-29-24-12-20-11-21(14-24)15-25(29)13-20/h2-10,18,20-21,24-26,28-29,37-38H,11-17H2,1H3,(H,33,39)(H,34,40)/t20?,21?,24?,25?,26-,28-,29?,32?/m1/s1

>  <InChI Key>
DRMFULCMYXHBOQ-NHONPZHLSA-N

