
 CHEMBL1689561

104104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1689561

>  <PubChem CID>
51351274

>  <Formula>
C32H55N11O6

>  <Molecular Weight>
689.863000

>  <IUPAC Name>
6-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-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]pyridine-3-carboxamide

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C1=CN=C(C=C1)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C1=CN=C(C=C1)N

>  <InChI Std. ID>
InChI=1S/C32H55N11O6/c1-7-19(6)26(43-30(48)23(14-18(4)5)42-28(46)20-10-11-24(33)38-15-20)31(49)39-16-25(44)40-21(9-8-12-37-32(35)36)29(47)41-22(27(34)45)13-17(2)3/h10-11,15,17-19,21-23,26H,7-9,12-14,16H2,1-6H3,(H2,33,38)(H2,34,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,37)/t19-,21-,22-,23-,26-/m0/s1

>  <InChI Key>
FZHMCIGNLYTREM-OPTWNZHXSA-N

