
 BDBM65106

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM65106

>  <PubChem CID>
131953613

>  <Formula>
C24H32NO5P

>  <Molecular Weight>
445.496000

>  <IUPAC Name>
[(1R,3S)-1-amino-3-[(6R)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1OCC2CCC3=C(C2)C=CC(=C3)C4CCC(C4)(COP(=O)(O)O)N

>  <Isomeric SMILES>
CC1=CC=CC=C1OC[C@@H]2CCC3=C(C2)C=CC(=C3)[C@H]4CC[C@@](C4)(COP(=O)(O)O)N

>  <InChI Std. ID>
InChI=1S/C24H32NO5P/c1-17-4-2-3-5-23(17)29-15-18-6-7-20-13-21(9-8-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-5,8-9,13,18,22H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22+,24-/m1/s1

>  <InChI Key>
AEIHCANYZUEHOR-RVSNTGDXSA-N

