
 CHEMBL1254050

 78 81  0  0  0  0  0  0  0  0999 V2000
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   11.3237   -0.2511   -5.4796 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1254050

>  <PubChem CID>
46899580

>  <Formula>
C30H37ClN4O6

>  <Molecular Weight>
585.098000

>  <IUPAC Name>
N-[(2R,3R,4R,5S,6R)-2-[(4-chlorophenyl)methoxy]-5-hydroxy-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)oxan-3-yl]-4-(diaminomethylideneamino)butanamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COCC1C(C(C(C(O1)OCC2=CC=C(C=C2)Cl)NC(=O)CCCN=C(N)N)OCC3=CC4=CC=CC=C4C=C3)O

>  <Isomeric SMILES>
COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=C(C=C2)Cl)NC(=O)CCCN=C(N)N)OCC3=CC4=CC=CC=C4C=C3)O

>  <InChI Std. ID>
InChI=1S/C30H37ClN4O6/c1-38-18-24-27(37)28(39-17-20-8-11-21-5-2-3-6-22(21)15-20)26(35-25(36)7-4-14-34-30(32)33)29(41-24)40-16-19-9-12-23(31)13-10-19/h2-3,5-6,8-13,15,24,26-29,37H,4,7,14,16-18H2,1H3,(H,35,36)(H4,32,33,34)/t24-,26-,27-,28-,29-/m1/s1

>  <InChI Key>
AKJBLRLZAFYIJF-SRUILXRCSA-N

