
 CHEMBL1170650

109109  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1170650

>  <PubChem CID>
49799155

>  <Formula>
C34H58N10O7

>  <Molecular Weight>
718.901000

>  <IUPAC Name>
(2S)-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide

>  <XlogP>
-0.2

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C34H58N10O7/c1-18(2)15-25(31(49)40-20(5)29(47)41-24(28(36)46)13-10-14-39-34(37)38)43-33(51)27(21(6)45)44-32(50)26(16-19(3)4)42-30(48)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,45H,10,13-17,35H2,1-6H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,48)(H,43,51)(H,44,50)(H4,37,38,39)/t20-,21+,23-,24-,25-,26-,27-/m0/s1

>  <InChI Key>
BHSLIFDSWOJUKW-XCPBJYSRSA-N

