
 CHEMBL132254

 98 98  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL132254

>  <PubChem CID>
44354052

>  <Formula>
C31H53N9O5

>  <Molecular Weight>
631.823000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)N(C)C(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N)N

>  <InChI Std. ID>
InChI=1S/C31H53N9O5/c1-18(2)15-22(38-29(44)23(37-27(42)20(5)32)17-21-11-8-7-9-12-21)28(43)39-24(16-19(3)4)30(45)40(6)25(26(33)41)13-10-14-36-31(34)35/h7-9,11-12,18-20,22-25H,10,13-17,32H2,1-6H3,(H2,33,41)(H,37,42)(H,38,44)(H,39,43)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1

>  <InChI Key>
AVBWDBOLHAFBJR-NPJMLQJUSA-N

