Analyte Name

(2S,5R,6R)-6-(((2R)-((3-Methoxy-1-methyl-3-oxo-1-propenyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid Triethylamine

CAS Number

67474-99-1

Molecular Formula

C21H25N3O6S . C6H15N

Molecular Weight

548.7

Accurate Mass

548.2669

SMILES

CCN(CC)CC.COC(=O)\C=C(/C)\N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccccc3

InChI

InChI=1S/C21H25N3O6S.C6H15N/c1-11(10-13(25)30-4)22-14(12-8-6-5-7-9-12)17(26)23-15-18(27)24-16(20(28)29)21(2,3)31-19(15)24;1-4-7(5-2)6-3/h5-10,14-16,19,22H,1-4H3,(H,23,26)(H,28,29);4-6H2,1-3H3/t14-,15-,16+,19-;/m1./s1

IUPAC

N,N-diethylethanamine;(2S,5R,6R)-6-[[(2R)-2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Alternate CAS Number

60158-38-5

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat