
 CHEMBL398128

125126  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL398128

>  <PubChem CID>
44433905

>  <Formula>
C41H66N10O7S

>  <Molecular Weight>
843.102000

>  <IUPAC Name>
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(C)C(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C1=CC2=CC=CC=C2S1

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)C1=CC2=CC=CC=C2S1

>  <InChI Std. ID>
InChI=1S/C41H66N10O7S/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1

>  <InChI Key>
KRZOJYXLFVJWEZ-RARZTAELSA-N

