CAS 63358-49-6 Aspoxicillin - Analytical Products / Alfa Chemistry

CAT	APS63358496
CAS	63358-49-6
Structure
Synonyms	Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2S-(2α,5α,6β)]-, ASPC, TA 058, Doyle, Aspoxicillin
IUPAC Name	(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Weight	493.53
Molecular Formula	C21H27N5O7S
Canonical SMILES	CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccc(O)cc3
InChI	InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1

Description	analytical standard
Accurate Mass	493.1631
Form	neat; gas chromatography (GC): suitable
Format	Neat
Grade	analytical standard
Shipping	Room Temperature
Size	25MG
Storage Conditions	-18°C
Subcategory	Pharmaceutical and veterinary compounds and metabolites