(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (Q27171266)

BRD-K31449336-001-03-6 (English)

10 October 2016

chemical formula

C₃₄H₄₄N₄O₅S

1 reference

BRD-K31449336-001-03-6 (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)NCCCN5CCOCC5

1 reference

BRD-K31449336-001-03-6 (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)NCCCN5CCOCC5

1 reference

BRD-K31449336-001-03-6 (English)

InChI=1S/C34H44N4O5S/c1-34(2,3)44(41)38-23-27-22-29(33(40)35-13-7-14-37-15-18-43-19-16-37)36-32(31(27)30(38)12-17-39)26-10-5-8-24(20-26)25-9-6-11-28(21-25)42-4/h5-6,8-11,20-22,30,39H,7,12-19,23H2,1-4H3,(H,35,40)/t30-,44?/m1/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K31449336-001-03-6 (English)

NZSCNZRATUWXGR-RMCGNSPKSA-N

10 October 2016

InChIKey

2 references

BRD-K31449336-001-03-6 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K31449336-001-03-6 (English)

matched by identifier from

10 October 2016

InChIKey

NZSCNZRATUWXGR-RMCGNSPKSA-N

ChEBI ID

98955

mapping relation type

2 references

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