(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (Q27169382)

BRD-K01490356-001-03-1 (English)

10 October 2016

chemical formula

C₂₈H₂₈N₂O₅S

1 reference

BRD-K01490356-001-03-1 (English)

10 October 2016

canonical SMILES

CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC(=CC=C3)C4=CC5=CC=CC=C5O4)C(=O)O

1 reference

BRD-K01490356-001-03-1 (English)

10 October 2016

isomeric SMILES

CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CC5=CC=CC=C5O4)C(=O)O

1 reference

BRD-K01490356-001-03-1 (English)

InChI=1S/C28H28N2O5S/c1-28(2,3)36(34)30-16-20-14-21(27(32)33)29-26(25(20)22(30)11-12-31)19-9-6-8-17(13-19)24-15-18-7-4-5-10-23(18)35-24/h4-10,13-15,22,31H,11-12,16H2,1-3H3,(H,32,33)/t22-,36?/m0/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K01490356-001-03-1 (English)

WYZIXXCOOAVGGW-SABIYNJPSA-N

10 October 2016

InChIKey

2 references

BRD-K01490356-001-03-1 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K01490356-001-03-1 (English)

10 October 2016

ChEBI ID

97147

mapping relation type

2 references

(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (English)