6-APA (Oxacillin-d5)

Analyte Name

6-APA (Oxacillin-d5)

Molecular Formula

C27 D5 H24 N5 O7 S2

Molecular Weight

604.709

Accurate Mass

604.182

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2noc(C)c2C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)N[C@H]5[C@H]6SC(C)(C)[C@@H](N6C5=O)C(=O)O

InChI

InChI=1S/C27H29N5O7S2/c1-11-13(14(30-39-11)12-9-7-6-8-10-12)19(33)28-15-21(35)31-17(26(2,3)40-23(15)31)20(34)29-16-22(36)32-18(25(37)38)27(4,5)41-24(16)32/h6-10,15-18,23-24H,1-5H3,(H,28,33)(H,29,34)(H,37,38)/t15-,16-,17+,18+,23-,24-/m1/s1/i6D,7D,8D,9D,10D

IUPAC

(2S,5R,6R)-6-[[(2S,5R,6R)-3,3-dimethyl-6-[[5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-1,2-oxazole-4-carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat