
 CHEMBL540895

106107  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1  46  -1
M  END

>  <Chemical Name>
CHEMBL540895

>  <PubChem CID>
45266127

>  <Formula>
C39H60ClN4OP

>  <Molecular Weight>
667.360000

>  <IUPAC Name>
[4-[[(2S)-2-[bis(propan-2-ylamino)methylideneamino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl-tributylphosphanium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N=C(NC(C)C)NC(C)C.[Cl-]

>  <Isomeric SMILES>
CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)N=C(NC(C)C)NC(C)C.[Cl-]

>  <InChI Std. ID>
InChI=1S/C39H59N4OP.ClH/c1-8-11-24-45(25-12-9-2,26-13-10-3)29-32-19-22-36(23-20-32)42-38(44)37(43-39(40-30(4)5)41-31(6)7)28-33-18-21-34-16-14-15-17-35(34)27-33;/h14-23,27,30-31,37H,8-13,24-26,28-29H2,1-7H3,(H2-,40,41,42,43,44);1H/t37-;/m0./s1

>  <InChI Key>
ADCJJDDAVRCHJB-JFRIYMKVSA-N

