
 CHEMBL294288

 93 95  0  0  0  0  0  0  0  0999 V2000
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    9.3324   10.7933    2.6000 H   0  0  0  0  0
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    9.6162    6.9759   -5.4205 H   0  0  0  0  0
    9.0636    5.5263   -4.5491 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL294288

>  <PubChem CID>
15755305

>  <Formula>
C35H45N5O8

>  <Molecular Weight>
663.772000

>  <IUPAC Name>
benzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylpentanoate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)C(CCC(=O)N)NC(=O)OC(C)(C)C

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H](CC2=CN(C3=CC=CC=C32)C=O)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C35H45N5O8/c1-22(2)17-28(33(45)47-20-23-11-7-6-8-12-23)38-32(44)27(18-24-19-40(21-41)29-14-10-9-13-25(24)29)37-31(43)26(15-16-30(36)42)39-34(46)48-35(3,4)5/h6-14,19,21-22,26-28H,15-18,20H2,1-5H3,(H2,36,42)(H,37,43)(H,38,44)(H,39,46)/t26-,27+,28-/m0/s1

>  <InChI Key>
CLDDZHIEZFRINB-IARZGTGTSA-N

