
 CHEMBL340847

108108  0  0  0  0  0  0  0  0999 V2000
   17.6243   -1.0126    5.3159 C   0  0  0  0  0
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   11.0257    7.3462   -6.5163 H   0  0  0  0  0
    9.9063    9.0226   -5.0706 H   0  0  0  0  0
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   12.4131   10.4693   -0.9900 H   0  0  0  0  0
   15.6130   11.6126   -3.2751 H   0  0  0  0  0
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   18.3338   10.6086   -1.4309 H   0  0  0  0  0
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   17.6119    8.9113   -6.9499 H   0  0  0  0  0
   16.3230    6.7094   -9.2009 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL340847

>  <PubChem CID>
15042801

>  <Formula>
C35H57N7O9

>  <Molecular Weight>
719.881000

>  <IUPAC Name>
4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]butanoic acid

>  <XlogP>
-0.8

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NCCCC(=O)O

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C35H57N7O9/c1-20(2)15-24(31(36)47)40-32(48)25(16-21(3)4)39-28(44)18-38-35(51)30(22(5)6)42-33(49)26(17-23-11-8-7-9-12-23)41-34(50)27(19-43)37-14-10-13-29(45)46/h7-9,11-12,20-22,24-27,30,37,43H,10,13-19H2,1-6H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,48)(H,41,50)(H,42,49)(H,45,46)/t24-,25-,26-,27-,30-/m0/s1

>  <InChI Key>
OKXLCQCBXLVKMG-DJNSEWAMSA-N

