
 CHEMBL311917

100102  0  0  0  0  0  0  0  0999 V2000
    7.8868   11.6143    1.7084 C   0  0  0  0  0
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    8.6399    2.5806    3.8902 H   0  0  0  0  0
    8.3277    2.9323    5.5875 H   0  0  0  0  0
   10.2060    1.6385    5.9905 H   0  0  0  0  0
   10.8790    1.9145    4.3530 H   0  0  0  0  0
   11.0705    5.5849    5.5287 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL311917

>  <PubChem CID>
14860666

>  <Formula>
C36H50N6O7S

>  <Molecular Weight>
710.891000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)COCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCC(=O)N3

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)COC[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCC(=O)N3

>  <InChI Std. ID>
InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1

>  <InChI Key>
WLGDNOCWZZOAOT-IIZANFQQSA-N

