dapdiamide B

Chemical Formula:

C₁₃H₂₂N₄O₅

Molecular Weight:

314.341 Daltons

Monoisotopic Mass:

315.16684486959997 Daltons

SMILES:

CCC(C)C(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O

InChI:

1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7-,8-,11-/m0/s1

InChIKey:

WSFQKSIBZODGPB-RWWNVWANSA-N

Synonyms

N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-isoleucine

Databases

MetaCyc: CPD-17540

ChEBI: 84321

PubChem (CID): 86583460 91666331

MetaNetX: MNXM146541

KEGG: C20963