
 CHEMBL172635

 89 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL172635

>  <PubChem CID>
44382087

>  <Formula>
C34H43N5O7

>  <Molecular Weight>
633.746000

>  <IUPAC Name>
2-[(2S,5S)-1-[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]-3-oxo-5-phenylpiperazin-2-yl]acetic acid

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CC(NC(=O)C1CC(=O)O)C2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]1CC(=O)O)C2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C34H43N5O7/c1-20(2)15-26(32(44)39-19-27(21-11-7-6-8-12-21)37-31(43)28(39)17-29(40)41)36-30(42)25(38-33(45)46-34(3,4)5)16-22-18-35-24-14-10-9-13-23(22)24/h6-14,18,20,25-28,35H,15-17,19H2,1-5H3,(H,36,42)(H,37,43)(H,38,45)(H,40,41)/t25-,26-,27+,28-/m0/s1

>  <InChI Key>
BFNUEOPFDAISOI-BPXGVECKSA-N

