Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide (Q27094713)

CHEMBL222649 (English)

4 October 2016

chemical formula

C₂₈H₃₇N₃O₅S

1 reference

CHEMBL222649 (English)

4 October 2016

canonical SMILES

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3

1 reference

CHEMBL222649 (English)

4 October 2016

isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3

1 reference

CHEMBL222649 (English)

InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

CHEMBL222649 (English)

YUMYYTORLYHUFW-ZUDLOMHPSA-N

4 October 2016

InChIKey

1 reference

CHEMBL222649 (English)

4 October 2016

1 reference

N~2~-(4-Morpholinylcarbonyl)-N-[(1E,3R)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]-D-leucinamide (English)

4 October 2016

2 references

CHEMBL222649 (English)

matched by identifier from

4 October 2016

InChIKey

YUMYYTORLYHUFW-ZUDLOMHPSA-N

1 reference

Guide to Pharmacology Ligand ID

CHEMBL222649 (English)

4 October 2016

1 reference

9298

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

2 references

Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide (English)