
 CHEMBL297327

 87 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL297327

>  <PubChem CID>
44291788

>  <Formula>
C32H47N3O5

>  <Molecular Weight>
553.744000

>  <IUPAC Name>
tert-butyl N-[(2S)-1-[[(2R)-1-(8-hydroxyoctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)OC(=O)NC(C)(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCCCCCO

>  <Isomeric SMILES>
C[C@](CC1=CC=CC=C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCCCCCCCO)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1

>  <InChI Key>
ZYOSMLUSASXSFL-ZUKKLESISA-N

