(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (Q27176988)

BRD-K62189562-001-03-5 (English)

10 October 2016

chemical formula

C₃₀H₃₇N₃O₅S

1 reference

BRD-K62189562-001-03-5 (English)

10 October 2016

canonical SMILES

CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCCOC

1 reference

BRD-K62189562-001-03-5 (English)

10 October 2016

isomeric SMILES

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

1 reference

BRD-K62189562-001-03-5 (English)

InChI=1S/C30H37N3O5S/c1-30(2,3)39(36)33-19-23-18-25(29(35)31-13-15-37-4)32-28(27(23)26(33)12-14-34)22-10-6-8-20(16-22)21-9-7-11-24(17-21)38-5/h6-11,16-18,26,34H,12-15,19H2,1-5H3,(H,31,35)/t26-,39?/m1/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K62189562-001-03-5 (English)

NSGNWJNYRBQKFH-ZFPLWWAGSA-N

10 October 2016

InChIKey

2 references

BRD-K62189562-001-03-5 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K62189562-001-03-5 (English)

matched by identifier from

10 October 2016

InChIKey

NSGNWJNYRBQKFH-ZFPLWWAGSA-N

ChEBI ID

100829

mapping relation type

2 references

(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (English)