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Substance Name: Ro 413399
RN: 124084-44-2
InChIKey: FHPWLEQQFDSPCU-SVEZEBCVSA-N

Molecular Formula

  • C24-H30-N8-O7-S2

Molecular Weight

  • 606.682
 
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Names and Synonyms

Name of Substance

  • Ro 413399

Synonyms

  • (6R-(2(E),6alpha,7beta(Z)))-2-((2-Methylpropoxy)carbonyl)-2-pentenyl 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
  • (E)-2-(Isobutoxycarbonyl)-2-pentenyl-(6R,7R)-7-((Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetamido)-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
  • Ro 41-3399

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(azidomethyl)-8-oxo-, 2-((2-methylpropoxy)carbonyl)-2-pentenyl ester, (6R-(2(E),6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 124084-44-2

System Generated Number

  • 0124084442

Structure Descriptors

InChI

1S/C24H30N8O7S2/c1-5-6-13(22(35)38-8-12(2)3)9-39-23(36)18-14(7-27-31-26)10-40-21-17(20(34)32(18)21)29-19(33)16(30-37-4)15-11-41-24(25)28-15/h6,11-12,17,21H,5,7-10H2,1-4H3,(H2,25,28)(H,29,33)/b13-6-,30-16+/t17-,21-/m1/s1

InChIKey

FHPWLEQQFDSPCU-SVEZEBCVSA-N

Smiles

CC\C=C(\COC(=O)C1=C(CN=[N+]=[N-])CS[C@@H]2[C@H](NC(=O)\C(=N\OC)\c3csc(N)n3)C(=O)N12)/C(=O)OCC(C)C