
 CHEMBL2431717

 74 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2431717

>  <PubChem CID>
56639666

>  <Formula>
C27H38N4O5

>  <Molecular Weight>
498.624000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)C(CC2CCCCC2)NC(=O)C3=CC=NO3

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=NO3

>  <InChI Std. ID>
InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1

>  <InChI Key>
CVXCZFZFHKSABI-XZOYJPPVSA-N

