Analyte Name

sodium (R)-2-((R)-((R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)(carboxylato)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

Molecular Formula

C16 H19 N3 Na2 O5 S

Molecular Weight

411.384

Accurate Mass

411.084

SMILES

CC1=C(N[C@H](SC1)[C@H](NC(=O)[C@H](N)C2=CCC=CC2)C(=O)O[Na])C(=O)O[Na]

InChI

InChI=1S/C16H21N3O5S.2Na/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-3,6,10,12,14,19H,4-5,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24);;/q;2*+1/p-2/t10-,12+,14-;;/m1../s1

IUPAC

[(2R)-2-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-2-[(2R)-5-methyl-4-sodiooxycarbonyl-3,6-dihydro-2H-1,3-thiazin-2-yl]acetyl]oxysodium

Country of Origin

CANADA

Product Format

Neat