tryprostatin A

Chemical Formula:

C₂₂H₂₇N₃O₃

Molecular Weight:

381.474 Daltons

Monoisotopic Mass:

381.20524174860003 Daltons

SMILES:

CC(C)=CCC2(=C(C1(=CC=C(OC)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))

InChI:

1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1

InChIKey:

XNRPVPHNDQHWLJ-PMACEKPBSA-N

Databases

MetaCyc: CPD-15262

KEGG: C20607

PubChem (CID): 9929833

MetaboLights: MTBLC72761

ChEBI: 72761

RefMet: Tryprostatin A

MetaNetX: MNXM145098