Analyte Name

4-Nitrophenyl-methoxycarbonylamino N-(Penicillan-6-yl) Open Ring Amoxicillinamide Disodium Salt

Molecular Formula

C32 H34 N6 Na2 O12 S2

Molecular Weight

804.755

Accurate Mass

804.147

SMILES

CC1(C)S[C@@H](N[C@H]1C(=O)O[Na])[C@H](NC(=O)C(NC(=O)OCc2ccc(cc2)[N+](=O)[O-])c3ccc(O)cc3)C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O[Na]

InChI

InChI=1S/C32H36N6O12S2.2Na/c1-31(2)21(28(43)44)36-25(51-31)19(24(41)34-20-26(42)37-22(29(45)46)32(3,4)52-27(20)37)33-23(40)18(15-7-11-17(39)12-8-15)35-30(47)50-13-14-5-9-16(10-6-14)38(48)49;;/h5-12,18-22,25,27,36,39H,13H2,1-4H3,(H,33,40)(H,34,41)(H,35,47)(H,43,44)(H,45,46);;/q;2*+1/p-2/t18?,19-,20-,21+,22+,25-,27-;;/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-[[2-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methoxycarbonylamino]acetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat