
 CHEMBL337852

 97 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL337852

>  <PubChem CID>
10416597

>  <Formula>
C30H52N10O5

>  <Molecular Weight>
632.811000

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

>  <XlogP>
-1.000

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C30H52N10O5/c1-16(2)13-22(27(43)37-21(25(33)41)7-6-12-36-30(34)35)39-28(44)23(14-17(3)4)40-29(45)24(38-26(42)18(5)31)15-19-8-10-20(32)11-9-19/h8-11,16-18,21-24H,6-7,12-15,31-32H2,1-5H3,(H2,33,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t18-,21-,22-,23-,24-/m0/s1

>  <InChI Key>
APSSILGMJCUGQC-NHKCCNDQSA-N

