
 CHEMBL148255

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL148255

>  <PubChem CID>
44363998

>  <Formula>
C32H43N5O4

>  <Molecular Weight>
561.727000

>  <IUPAC Name>
tert-butyl (2R)-6-amino-2-[[(2R,3S)-2-(3-benzyl-2-oxoimidazolidin-1-yl)-3-(1H-indol-3-yl)butanoyl]amino]hexanoate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CNC2=CC=CC=C21)C(C(=O)NC(CCCCN)C(=O)OC(C)(C)C)N3CCN(C3=O)CC4=CC=CC=C4

>  <Isomeric SMILES>
C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N3CCN(C3=O)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C32H43N5O4/c1-22(25-20-34-26-15-9-8-14-24(25)26)28(37-19-18-36(31(37)40)21-23-12-6-5-7-13-23)29(38)35-27(16-10-11-17-33)30(39)41-32(2,3)4/h5-9,12-15,20,22,27-28,34H,10-11,16-19,21,33H2,1-4H3,(H,35,38)/t22-,27+,28+/m0/s1

>  <InChI Key>
BKKOXVTYHDUWOC-XDAJTCOGSA-N

