N-Oxacilloilyl (+)-6-Aminopenicillanic Acid Disodium Salt

Analyte Name

N-Oxacilloilyl (+)-6-Aminopenicillanic Acid Disodium Salt

Molecular Formula

C27 H29 N5 Na2 O8 S2

Molecular Weight

661.657

Accurate Mass

661.125

SMILES

Cc1onc(c2ccccc2)c1C(=O)N[C@@H]([C@@H]3N[C@@H](C(=O)O[Na])C(C)(C)S3)C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O[Na]

InChI

InChI=1S/C27H31N5O8S2.2Na/c1-11-13(14(31-40-11)12-9-7-6-8-10-12)19(33)28-15(21-30-17(24(36)37)26(2,3)41-21)20(34)29-16-22(35)32-18(25(38)39)27(4,5)42-23(16)32;;/h6-10,15-18,21,23,30H,1-5H3,(H,28,33)(H,29,34)(H,36,37)(H,38,39);;/q;2*+1/p-2/t15-,16-,17+,18+,21-,23-;;/m1../s1

IUPAC

[(2R,4S)-2-[(1R)-2-[[(2S,5R,6R)-3,3-dimethyl-7-oxo-2-sodiooxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]oxysodium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat