(2S,4S)-2-((R)-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic Acid Ammonium Salt

Analyte Name

(2R,4S)-2-((R)-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic Acid Ammonium Salt

CAS Number

1204829-51-5

Molecular Formula

C16H21N3O6S . NH3

Molecular Weight

400.45

Accurate Mass

400.15

SMILES

OC1=CC=C([C@@H](N)C(N[C@@H]([C@]2([H])N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)=O)C=C1.N

InChI

InChI=1S/C16H21N3O6S.H3N/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);1H3/t9-,10+,11+,13-;/m1./s1

IUPAC

(2R,4S)-2-((R)-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid, ammonia salt

Alternate CAS Number

42947-63-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat