
 CHEMBL410783

152159  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL410783

>  <PubChem CID>
44358844

>  <Formula>
C58H72N14O8

>  <Molecular Weight>
1093.304000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(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]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
11

>  <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)C7CC7C8=CC=CC=C8

>  <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)C7C[C@@H]7C8=CC=CC=C8

>  <InChI Std. ID>
InChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1

>  <InChI Key>
PRYZTLPJFLNJDS-MKJRTOFZSA-N

