Cas no 98445-47-7 (Miraxid)

Miraxid structure
Miraxid structure
Product Name:Miraxid
CAS No:98445-47-7
MF:C43H62N6O11S2
MW:903.115989208221
CID:1002532
Update Time:2023-08-03

Miraxid Chemical and Physical Properties

Names and Identifiers

    • miraxid
    • 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyc
    • [(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[(e)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate-[(2,2-dimethylpropanoyl)oxy]methyl(2s,5r
    • Miraxid
    • Inchi: 1S/C22H29N3O6S.C21H33N3O5S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);12,14-15,17H,6-11,13H2,1-5H3/b;22-12+/t13?,14-,15+,18-;14-,15+,17-/m11/s1
    • InChI Key: OWPUISNKTHIHSM-COSJEFMMSA-N
    • SMILES: S1C(C)(C)[C@H](C(=O)OCOC(C(C)(C)C)=O)N2C([C@H]([C@@H]12)NC(C(C1C=CC=CC=1)N)=O)=O.S1C(C)(C)[C@H](C(=O)OCOC(C(C)(C)C)=O)N2C([C@H]([C@@H]12)/N=C/N1CCCCCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 17
  • Complexity: 1480
  • Topological Polar Surface Area: 267
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