
 CHEMBL64770

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL64770

>  <PubChem CID>
44303298

>  <Formula>
C30H38N2O6

>  <Molecular Weight>
522.642000

>  <IUPAC Name>
2-adamantyl N-[1-[[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-2-methyl-1-oxopropan-2-yl]carbamate

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CC1=CC=C(C=C1)O)(C(=O)NC(CO)C(C2=CC=CC=C2)O)NC(=O)OC3C4CC5CC(C4)CC3C5

>  <Isomeric SMILES>
CC(CC1=CC=C(C=C1)O)(C(=O)N[C@H](CO)[C@@H](C2=CC=CC=C2)O)NC(=O)OC3C4CC5CC(C4)CC3C5

>  <InChI Std. ID>
InChI=1S/C30H38N2O6/c1-30(16-18-7-9-24(34)10-8-18,28(36)31-25(17-33)26(35)21-5-3-2-4-6-21)32-29(37)38-27-22-12-19-11-20(14-22)15-23(27)13-19/h2-10,19-20,22-23,25-27,33-35H,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,20?,22?,23?,25-,26-,27?,30?/m1/s1

>  <InChI Key>
CEYDBBQFSNUMDN-AYFZRRGRSA-N

