[2R-[2alpha(S*),4beta]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-alpha-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-2-thiazolidineacetic Acid

Nombre del analito

(AlphaS)-Penicilloic Acid of Pivmecillinam

Número CAS

72584-25-9

Fórmula molecular

C21 H35 N3 O6 S

Peso molecular

457.584

Masa exacta

457.225

SMILES

CC(C)(C)C(=O)OCOC(=O)[C@@H]1N[C@H](SC1(C)C)[C@@H](N=CN2CCCCCC2)C(=O)O

InChI

InChI=1S/C21H35N3O6S/c1-20(2,3)19(28)30-13-29-18(27)15-21(4,5)31-16(23-15)14(17(25)26)22-12-24-10-8-6-7-9-11-24/h12,14-16,23H,6-11,13H2,1-5H3,(H,25,26)/t14-,15+,16-/m1/s1

IUPAC

(2S)-2-(azepan-1-ylmethylideneamino)-2-[(2R,4S)-4-(2,2-dimethylpropanoyloxymethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat