
 CHEMBL1689563

105105  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1689563

>  <PubChem CID>
51351409

>  <Formula>
C33H56N10O6

>  <Molecular Weight>
688.875000

>  <IUPAC Name>
4-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]benzamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
8

>  <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=CC=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=CC=C(C=C1)N

>  <InChI Std. ID>
InChI=1S/C33H56N10O6/c1-7-20(6)27(43-31(48)25(16-19(4)5)42-29(46)21-10-12-22(34)13-11-21)32(49)39-17-26(44)40-23(9-8-14-38-33(36)37)30(47)41-24(28(35)45)15-18(2)3/h10-13,18-20,23-25,27H,7-9,14-17,34H2,1-6H3,(H2,35,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,36,37,38)/t20-,23-,24-,25-,27-/m0/s1

>  <InChI Key>
HIPQBJQFUKXPFP-HNRCJHGASA-N

