
 CHEMBL287141

 73 74  0  0  0  0  0  0  0  0999 V2000
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    2.3388    3.8024    3.0132 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL287141

>  <PubChem CID>
44279251

>  <Formula>
C26H38N4O5

>  <Molecular Weight>
486.613000

>  <IUPAC Name>
3-[[(2R)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC(=O)O)NC(=O)CC(C)(C)C

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC(=O)O)NC(=O)CC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C26H38N4O5/c1-16(2)12-20(29-22(31)14-26(3,4)5)25(35)30-21(24(34)27-11-10-23(32)33)13-17-15-28-19-9-7-6-8-18(17)19/h6-9,15-16,20-21,28H,10-14H2,1-5H3,(H,27,34)(H,29,31)(H,30,35)(H,32,33)/t20-,21+/m0/s1

>  <InChI Key>
FPBJOZMOCINLDR-LEWJYISDSA-N

