N1-hydroxy-roquefortine C

Chemical Formula:

C₂₂H₂₃N₅O₃

Molecular Weight:

405.455 Daltons

Monoisotopic Mass:

405.1800896306 Daltons

SMILES:

C=CC(C)(C)C23(CC5(N(C(N(O)C1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))

InChI:

1S/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+

InChIKey:

NNCYWYKIMLRIRQ-OQLLNIDSSA-N

Synonyms

roquefortine C N1-hydroxyamine

Databases

MetaCyc: CPD-17392

PubChem (CID): 91820316

MetaNetX: MNXM147519