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Substance Name: (6R-(6alpha,7beta(R*)))-7-((Amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with propane-1,2-diol
RN: 57235-40-2
InChIKey: CKOIKOHDEYTLFR-PFBPGKLMSA-N

Molecular Formula

  • C18-H18-N6-O5-S2.x-C3-H8-O2

Molecular Weight

  • 538.6034
 
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Names and Synonyms

Synonym

  • EINECS 260-642-4

Systematic Name

  • (6R-(6alpha,7beta(R*)))-7-((Amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with propane-1,2-diol

Registry Numbers

CAS Registry Number

  • 57235-40-2

System Generated Number

  • 0057235402

Molecular Formulas

Molecular Formula

  • C18-H18-N6-O5-S2.x-C3-H8-O2

Molecular Formula Fragments

  • C18-H18-N6-O5-S2
  • C3-H8-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1

InChIKey

CKOIKOHDEYTLFR-PFBPGKLMSA-N

Smiles

CC(CO)O.c1cc(ccc1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4c[nH]nn4)C(=O)O)N)O