
 CHEMBL264465

151157  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL264465

>  <PubChem CID>
10351270

>  <Formula>
C57H69F3N14O8

>  <Molecular Weight>
1135.264000

>  <IUPAC Name>
(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2CNC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)NC(=O)CC7=CC=CC=C7C(F)(F)F

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2CN[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)CC7=CC=CC=C7C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C57H69F3N14O8/c1-32(2)49(55(81)69-33(3)51(77)72-47(25-39-28-63-31-67-39)56(82)74-20-12-16-40(74)29-65-44(50(61)76)21-35-13-6-5-7-14-35)73-52(78)34(4)68-53(79)45(22-37-26-64-43-19-11-9-17-41(37)43)71-54(80)46(24-38-27-62-30-66-38)70-48(75)23-36-15-8-10-18-42(36)57(58,59)60/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,64-65H,12,16,20-25,29H2,1-4H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1

>  <InChI Key>
WYBZTUOODLUWJY-HNHGRBGCSA-N

