1,4-benzothiazinyl-alanine
Chemical Formula:
C12H13N2O5S
Molecular Weight:
297.305 Daltons
Monoisotopic Mass:
299.0701672924 Daltons
SMILES:
C(C(C(=O)[O-])[N+])C1(=CC(=C2(C(=C1)SCC(C(=O)[O-])N2))O)
InChI:
1S/C12H14N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7,14-15H,1,4,13H2,(H,16,17)(H,18,19)/p-1/t6-,7?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15155
PubChem (CID):
90658251
MetaNetX:
MNXM114579