
 CHEMBL413488

151158  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL413488

>  <PubChem CID>
10034153

>  <Formula>
C59H70N14O8

>  <Molecular Weight>
1103.299000

>  <IUPAC Name>
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]naphthalene-1-carboxamide

>  <XlogP>
4.4

>  <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)C7=CC=CC8=CC=CC=C87

>  <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)C7=CC=CC8=CC=CC=C87

>  <InChI Std. ID>
InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1

>  <InChI Key>
HUQXEPCMHOWNFL-GQHWFMIJSA-N

