(Q27171507)

BRD-K35691352-001-03-8 (English)

10 October 2016

chemical formula

C₂₇H₃₀N₂O₅S

1 reference

BRD-K35691352-001-03-8 (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)O

1 reference

BRD-K35691352-001-03-8 (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)O

1 reference

BRD-K35691352-001-03-8 (English)

InChI=1S/C27H30N2O5S/c1-27(2,3)35(33)29-16-20-15-22(26(31)32)28-25(24(20)23(29)11-12-30)19-9-5-7-17(13-19)18-8-6-10-21(14-18)34-4/h5-10,13-15,23,30H,11-12,16H2,1-4H3,(H,31,32)/t23-,35?/m1/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K35691352-001-03-8 (English)

SQSYVIJPLUBFQG-MMHRDOBHSA-N

10 October 2016

InChIKey

2 references

BRD-K35691352-001-03-8 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K35691352-001-03-8 (English)

10 October 2016

ChEBI ID

99190

mapping relation type

1 reference