(Q27220762)

BRD-K42001678-001-03-8 (English)

11 October 2016

chemical formula

C₂₅H₃₀N₂O₅S

1 reference

BRD-K42001678-001-03-8 (English)

11 October 2016

canonical SMILES

CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC=CC(=C3)C#CC(C)(C)O)C(=O)O

1 reference

BRD-K42001678-001-03-8 (English)

11 October 2016

isomeric SMILES

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

1 reference

BRD-K42001678-001-03-8 (English)

InChI=1S/C25H30N2O5S/c1-24(2,3)33(32)27-15-18-14-19(23(29)30)26-22(21(18)20(27)10-12-28)17-8-6-7-16(13-17)9-11-25(4,5)31/h6-8,13-14,20,28,31H,10,12,15H2,1-5H3,(H,29,30)/t20-,33?/m0/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K42001678-001-03-8 (English)

BBQFZCPIKRFBCR-SQLGYAFXSA-N

11 October 2016

InChIKey

2 references

BRD-K42001678-001-03-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K42001678-001-03-8 (English)

11 October 2016

ChEBI ID

128035

mapping relation type

1 reference