
 CHEMBL340880

113113  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL340880

>  <PubChem CID>
10485206

>  <Formula>
C36H60N8O9

>  <Molecular Weight>
748.923000

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

>  <XlogP>
-2.1

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
11

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

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

>  <InChI Std. ID>
InChI=1S/C36H60N8O9/c1-20(2)14-24(18-40-26(32(38)49)15-21(3)4)41-29(46)12-13-39-36(53)31(22(5)6)44-34(51)27(16-23-10-8-7-9-11-23)42-35(52)28(19-45)43-33(50)25(37)17-30(47)48/h7-11,20-22,24-28,31,40,45H,12-19,37H2,1-6H3,(H2,38,49)(H,39,53)(H,41,46)(H,42,52)(H,43,50)(H,44,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1

>  <InChI Key>
PZUFIKPNHUHVHX-POOCDACNSA-N

