
 CHEMBL3622803

124125  0  0  0  0  0  0  0  0999 V2000
    6.2327    5.1574    5.3260 C   0  0  0  0  0
    7.0247    4.5228    3.7364 Si  0  0  0  0  0
    7.9174    5.9344    2.8908 C   0  0  0  0  0
    8.2514    3.1823    4.1886 C   0  0  0  0  0
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    5.9094    0.7474    1.9490 N   0  0  0  0  0
    4.5171    0.2747    1.7799 C   0  0  0  0  0
    3.4015    1.1811    2.3108 C   0  0  0  0  0
    1.5940    0.5150    2.2034 Si  0  0  0  0  0
    1.0972    0.2125    0.4205 C   0  0  0  0  0
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    9.7436   12.8334   -5.0580 H   0  0  0  0  0
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   14.2637    9.2028   -3.5990 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3622803

>  <PubChem CID>
122192057

>  <Formula>
C38H68N8O8Si2

>  <Molecular Weight>
821.180000

>  <IUPAC Name>
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-3-trimethylsilylpropanoic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C[Si](C)(C)CC(C(=O)NC(C[Si](C)(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CCCCN)N

>  <Isomeric SMILES>
C[Si](C)(C)C[C@@H](C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

>  <InChI Std. ID>
InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1

>  <InChI Key>
GHSASOSXURNENS-JNRWAQIZSA-N

