
 CHEMBL1269132

 91 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1269132

>  <PubChem CID>
49788310

>  <Formula>
C32H48N6O5

>  <Molecular Weight>
596.773000

>  <IUPAC Name>
N-[(2S)-1-[[(2S,3S)-1-[[5-[4-(2-aminoethyl)anilino]-5-oxopentyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)NCCCCC(=O)NC1=CC=C(C=C1)CCN)NC(=O)C(CC2CCCCC2)NC(=O)C3=CC=NO3

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCCCCC(=O)NC1=CC=C(C=C1)CCN)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=NO3

>  <InChI Std. ID>
InChI=1S/C32H48N6O5/c1-3-22(2)29(32(42)34-19-8-7-11-28(39)36-25-14-12-23(13-15-25)16-18-33)38-30(40)26(21-24-9-5-4-6-10-24)37-31(41)27-17-20-35-43-27/h12-15,17,20,22,24,26,29H,3-11,16,18-19,21,33H2,1-2H3,(H,34,42)(H,36,39)(H,37,41)(H,38,40)/t22-,26-,29-/m0/s1

>  <InChI Key>
FEGHIKWSQPFPMK-ONALNCHISA-N

