grixazone A

Chemical Formula:

C₁₈H₁₄N₃O₆S

Molecular Weight:

400.385 Daltons

Monoisotopic Mass:

401.0681559197 Daltons

SMILES:

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

InChI:

1S/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)/p-1/t11-/m0/s1

InChIKey:

CBXHEDPBKOZZSI-NSHDSACASA-M

Synonyms

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

Databases

MetaCyc: CPD-14874

PubChem (CID): 71464598

ChEBI: 73482

MetaNetX: MNXM114513