
 CHEMBL3622804

130131  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3622804

>  <PubChem CID>
122192058

>  <Formula>
C40H72N8O8Si2

>  <Molecular Weight>
849.234000

>  <IUPAC Name>
(2S)-2-[[(2R)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,7-diaminoheptanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C)CC(C(=O)O)NC(=O)C(C[Si](C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2C[Si](CN2C(=O)C(CCCCN)NC(=O)C(CCCCCN)N)(C)C

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2C[Si](CN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCCN)N)(C)C

>  <InChI Std. ID>
InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1

>  <InChI Key>
JKNYDBWUVJUVPS-CVUOCSEZSA-N

