
 CHEMBL307115

 83 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL307115

>  <PubChem CID>
44307250

>  <Formula>
C28H43N7O5

>  <Molecular Weight>
557.696000

>  <IUPAC Name>
tert-butyl N-[5-[2-(1H-imidazol-5-yl)ethylamino]hexanoylamino]-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CCCC(=O)NN(C(CC1=CC=CC=C1)C(=O)NCC(=O)NC)C(=O)OC(C)(C)C)NCCC2=CN=CN2

>  <Isomeric SMILES>
CC(CCCC(=O)NN(C(CC1=CC=CC=C1)C(=O)NCC(=O)NC)C(=O)OC(C)(C)C)NCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C28H43N7O5/c1-20(31-15-14-22-17-30-19-33-22)10-9-13-24(36)34-35(27(39)40-28(2,3)4)23(16-21-11-7-6-8-12-21)26(38)32-18-25(37)29-5/h6-8,11-12,17,19-20,23,31H,9-10,13-16,18H2,1-5H3,(H,29,37)(H,30,33)(H,32,38)(H,34,36)

>  <InChI Key>
SJTCXXXSWIQXOU-UHFFFAOYSA-N

