compound 29e [PMID: 23631440] (Q27076503)

CHEMBL2380402 (English)

3 October 2016

chemical formula

C₂₄H₃₁N₃O₅S₂

1 reference

CHEMBL2380402 (English)

3 October 2016

canonical SMILES

CC(=O)NCCCCCC(=O)N1CC(C(C1)S)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

1 reference

CHEMBL2380402 (English)

3 October 2016

isomeric SMILES

CC(=O)NCCCCCC(=O)N1C[C@@H]([C@H](C1)S)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

1 reference

CHEMBL2380402 (English)

InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL2380402 (English)

MUWDEQLPHWVPPA-GOTSBHOMSA-N

3 October 2016

InChIKey

1 reference

CHEMBL2380402 (English)

3 October 2016

1 reference

N-{6-Oxo-6-[(3S,4S)-3-{[(4-phenoxyphenyl)sulfonyl]amino}-4-sulfanyl-1-pyrrolidinyl]hexyl}acetamide (English)

3 October 2016

1 reference

CHEMBL2380402 (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

CHEMBL2380402 (English)

3 October 2016

1 reference

8578

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8578

compound 29e [PMID: 23631440] (English)