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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((5-carboxy-5-(((4-methylphenyl)sulfonyl)amino)-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-(6alpha,7alpha,7(R*)))-, compd. with N-cyclohexylcyclohexanamine (1:1)
RN: 83292-23-3
InChIKey: QVDHMIRSIRQABE-DGXYXHHISA-N

Molecular Formula

  • C23-H28-N4-O11-S2.C12-H23-N

Molecular Weight

  • 781.9439
 
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Names and Synonyms

Synonym

  • EINECS 280-369-4

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((5-carboxy-5-(((4-methylphenyl)sulfonyl)amino)-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-(6alpha,7alpha,7(R*)))-, compd. with N-cyclohexylcyclohexanamine (1:1)

Registry Numbers

CAS Registry Number

  • 83292-23-3

System Generated Number

  • 0083292233

Molecular Formulas

Molecular Formula

  • C23-H28-N4-O11-S2.C12-H23-N

Molecular Formula Fragments

  • C12-H23-N
  • C23-H28-N4-O11-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N4O11S2.C12H23N/c1-12-6-8-14(9-7-12)40(35,36)26-15(18(29)30)4-3-5-16(28)25-23(37-2)20(33)27-17(19(31)32)13(10-38-22(24)34)11-39-21(23)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,15,21,26H,3-5,10-11H2,1-2H3,(H2,24,34)(H,25,28)(H,29,30)(H,31,32);11-13H,1-10H2/t15?,21-,23-;/m1./s1

InChIKey

QVDHMIRSIRQABE-DGXYXHHISA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)NC(CCCC(=O)N[C@@]2([C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2