
 CHEMBL218636

106110  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  48   1
M  END

>  <Chemical Name>
CHEMBL218636

>  <PubChem CID>
16105751

>  <Formula>
C38H52Cl2N7O6S+

>  <Molecular Weight>
805.837000

>  <IUPAC Name>
[(4S)-5-[4-[1-acetyl-4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-4-amino-5-oxopentyl]-trimethylazanium

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCN(CC4)C(=O)C)C(=O)N5CCN(CC5)C(=O)C(CCC[N+](C)(C)C)N)Cl)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCN(CC4)C(=O)C)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C

>  <InChI Std. ID>
InChI=1S/C38H52Cl2N7O6S/c1-25-23-26(2)42-35-28(25)9-7-11-32(35)53-24-29-30(39)12-13-33(34(29)40)54(51,52)43-38(14-16-44(17-15-38)27(3)48)37(50)46-20-18-45(19-21-46)36(49)31(41)10-8-22-47(4,5)6/h7,9,11-13,23,31,43H,8,10,14-22,24,41H2,1-6H3/q+1/t31-/m0/s1

>  <InChI Key>
CVEVWPJOKBLXPW-HKBQPEDESA-N

