
 CHEMBL407183

102106  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL407183

>  <PubChem CID>
44344561

>  <Formula>
C42H45ClN6O8

>  <Molecular Weight>
797.306000

>  <IUPAC Name>
(3R)-4-[[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)N

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)Cl)C(=O)N

>  <InChI Std. ID>
InChI=1S/C42H45ClN6O8/c1-42(2,3)57-41(56)49-34(21-28-23-45-31-11-7-6-10-30(28)31)39(54)47-33(20-25-12-15-26-8-4-5-9-27(26)18-25)38(53)48-35(22-36(50)51)40(55)46-32(37(44)52)19-24-13-16-29(43)17-14-24/h4-18,23,32-35,45H,19-22H2,1-3H3,(H2,44,52)(H,46,55)(H,47,54)(H,48,53)(H,49,56)(H,50,51)/t32-,33+,34-,35+/m0/s1

>  <InChI Key>
AUELCXCCQCOZHF-OQIMXIDESA-N

