BMS compound 87b (Q27075392)

CHEMBL50593 (English)

3 October 2016

chemical formula

C₂₇H₃₇N₃O₃

1 reference

CHEMBL50593 (English)

3 October 2016

canonical SMILES

CCC(C1CC(CCN1CCCNC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3)O

1 reference

CHEMBL50593 (English)

3 October 2016

isomeric SMILES

CC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3)O

1 reference

CHEMBL50593 (English)

InChI=1S/C27H37N3O3/c1-3-26(32)25-18-22(17-21-9-5-4-6-10-21)13-16-30(25)15-8-14-28-27(33)29-24-12-7-11-23(19-24)20(2)31/h4-7,9-12,19,22,25-26,32H,3,8,13-18H2,1-2H3,(H2,28,29,33)/t22-,25-,26+/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL50593 (English)

UEKNCACYTQCRSI-RCXJIHSJSA-N

3 October 2016

InChIKey

1 reference

CHEMBL50593 (English)

3 October 2016

1 reference

1-(3-Acetylphenyl)-3-(3-{(2R,4S)-4-benzyl-2-[(1S)-1-hydroxypropyl]-1-piperidinyl}propyl)urea (English)

3 October 2016

1 reference

CHEMBL50593 (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

CHEMBL50593 (English)

3 October 2016

1 reference

3492

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3492

BMS compound 87b (English)