
 CHEMBL128175

110110  0  0  0  0  0  0  0  0999 V2000
   17.6522    4.2467   10.0724 C   0  0  0  0  0
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   15.6826    7.3374   -0.2378 H   0  0  0  0  0
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   16.3095    6.1045   -2.3258 H   0  0  0  0  0
   15.5172    7.4863   -4.4113 H   0  0  0  0  0
   13.8783    7.5851   -6.2449 H   0  0  0  0  0
   11.8307    6.1897   -6.1681 H   0  0  0  0  0
   11.4350    4.6754   -4.2450 H   0  0  0  0  0
   13.0184    4.6221   -2.3569 H   0  0  0  0  0
   15.0368    8.8014   -2.7341 H   0  0  0  0  0
   16.8303   10.7991   -2.8863 H   0  0  0  0  0
   14.2395   12.0389   -1.8012 H   0  0  0  0  0
   14.1319   10.6302   -2.8505 H   0  0  0  0  0
   15.5865   12.9535   -3.5482 H   0  0  0  0  0
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   19.0088   15.9216   -0.3498 H   0  0  0  0  0
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   16.0803   15.1971   -0.3232 H   0  0  0  0  0
   16.1193   13.8638    0.6020 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL128175

>  <PubChem CID>
10485118

>  <Formula>
C35H58N8O9

>  <Molecular Weight>
734.896000

>  <IUPAC Name>
(3S)-3-amino-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]-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

>  <XlogP>
-2.0

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
11

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

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

>  <InChI Std. ID>
InChI=1S/C35H58N8O9/c1-19(2)12-25(31(37)48)42-33(50)26(13-20(3)4)41-28(45)17-39-35(52)30(21(5)6)38-16-23(14-22-10-8-7-9-11-22)40-34(51)27(18-44)43-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,51)(H,41,45)(H,42,50)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1

>  <InChI Key>
LKKVBBKSWJHIPS-CJQGIMJOSA-N

