
 CHEMBL412762

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL412762

>  <PubChem CID>
16220918

>  <Formula>
C33H35N3O5S

>  <Molecular Weight>
585.719000

>  <IUPAC Name>
(3R)-N-[(4R)-7-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COC2=C(C1NC(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C2)CN6CCOCC6

>  <Isomeric SMILES>
C1COC2=C([C@@H]1NC(=O)C[C@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C2)CN6CCOCC6

>  <InChI Std. ID>
InChI=1S/C33H35N3O5S/c37-33(34-30-14-17-41-32-20-24(10-13-29(30)32)23-36-15-18-40-19-16-36)22-31(26-7-2-1-3-8-26)35-42(38,39)28-12-11-25-6-4-5-9-27(25)21-28/h1-13,20-21,30-31,35H,14-19,22-23H2,(H,34,37)/t30-,31-/m1/s1

>  <InChI Key>
AZKBBIWPORIMHR-FIRIVFDPSA-N

