(Q27076690)

Inhibitor 50 (English)

3 October 2016

chemical formula

C₁₈H₁₇N₃O₈S

1 reference

Inhibitor 50 (English)

3 October 2016

canonical SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=NC=C(C=C2)C(=O)NC(CC(=O)O)C=O)C(=O)O

1 reference

Inhibitor 50 (English)

3 October 2016

isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=NC=C(C=C2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O

1 reference

Inhibitor 50 (English)

InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1

3 October 2016

Identifiers

InChI

1 reference

Inhibitor 50 (English)

MENAYYMPBRSAAE-AWEZNQCLSA-N

3 October 2016

InChIKey

1 reference

Inhibitor 50 (English)

3 October 2016

1 reference

3-{[(5-{[(2S)-1-Carboxy-3-oxo-2-propanyl]carbamoyl}-2-pyridinyl)methyl]sulfamoyl}benzoic acid (English)

3 October 2016

2 references

Inhibitor 50 (English)

matched by identifier from

3 October 2016

InChIKey

MENAYYMPBRSAAE-AWEZNQCLSA-N

1 reference

CHEMBL147763 (English)

IUPHAR/BPS Guide to PHARMACOLOGY

3 October 2016

CHEMBL358725

1 reference

stated in

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

8628

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8628

compound 4 [PMID: 12408711] (English)