N2-malonyl-D-tryptophan

Chemical Formula:

C₁₄H₁₂N₂O₅

Molecular Weight:

288.259 Daltons

Monoisotopic Mass:

290.0902715703 Daltons

SMILES:

C1(C=CC2(NC=C(CC(NC(=O)CC(=O)[O-])C(=O)[O-])C(C=1)=2))

InChI:

1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-/m1/s1

InChIKey:

OVEAWSPZRGBTSS-LLVKDONJSA-L

Databases

MetaCyc: N2-MALONYL-D-TRYPTOPHAN

ChEBI: 57549

PubChem (CID): 25201975

KEGG: C03414

Seed: cpd02159

MetaNetX: MNXM4680