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Substance Name: Sankei
RN: 115761-49-4
InChIKey: JSKZWIGBDHYSGI-UCSXVCBISA-L

Molecular Formula

  • C31-H29-N11-O11-S3.2Na

Molecular Weight

  • 871.7983
 
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Names and Synonyms

Name of Substance

  • Sankei

Synonyms

  • 7-(((-7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio-5-methyl)-(1,2,4)triazolo(1,5-1)pyrimidine-2-carboxylic acid
  • Ro 09-1227
  • SR 1024

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((2-(2-(3,4-dihydroxybenzoyl)hydrazino)-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-3-(((2-carboxy-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-, disodium salt, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 115761-49-4

System Generated Number

  • 0115761494

Molecular Formulas

Molecular Formula

  • C31-H29-N11-O11-S3.2Na

Molecular Formula Fragments

  • C31-H29-N11-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H29N11O11S3.2Na/c1-11-6-17(42-30(33-11)36-21(39-42)27(50)51)54-8-13-9-55-25-19(24(47)41(25)20(13)26(48)49)35-23(46)18(14-10-56-29(32)34-14)40-53-31(2,3)28(52)38-37-22(45)12-4-5-15(43)16(44)7-12;;/h4-7,10,19,25,43-44H,8-9H2,1-3H3,(H2,32,34)(H,35,46)(H,37,45)(H,38,52)(H,48,49)(H,50,51);;/q;2*+1/p-2/b40-18+;;/t19-,25-;;/m1../s1

InChIKey

JSKZWIGBDHYSGI-UCSXVCBISA-L

Smiles

Cc1cc(n2c(n1)nc(n2)C(=O)[O-])SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)c5ccc(c(c5)O)O)/c6csc(n6)N)SC3)C(=O)[O-].[Na+].[Na+]