grixazone B

Chemical Formula:

C₁₈H₁₃N₃O₇S

Molecular Weight:

415.377 Daltons

Monoisotopic Mass:

417.0630705418 Daltons

SMILES:

CC(=O)NC(C([O-])=O)CSC1(=C(N)C(=O)C=C2(C1=NC3(C(O2)=CC=C(C([O-])=O)C=3)))

InChI:

1S/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)/p-2/t10-/m0/s1

InChIKey:

KUPQDUIOULXTJZ-JTQLQIEISA-L

Synonyms

1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-carboxyl-3H-phenoxiazine

Databases

MetaCyc: CPD-14875

ChEBI: 73483

PubChem (CID): 71464561

MetaNetX: MNXM114678

KEGG: C20799