
 CHEMBL3622802

121122  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3622802

>  <PubChem CID>
122192056

>  <Formula>
C38H66N8O8Si

>  <Molecular Weight>
791.079000

>  <IUPAC Name>
(2R)-2-[[(2S,3S)-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-methylpentanoyl]amino]-3-trimethylsilylpropanoic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CCC(C)C(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>
CC[C@H](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/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1

>  <InChI Key>
HMLFJQHLNZZDCB-VDXNIVNJSA-N

