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Substance Name: L 652813
RN: 104023-63-4
InChIKey: YKOVSJKTMQYZAG-OTCZLQCGSA-M

Molecular Weight

  • 560.589
 
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Names and Synonyms

Name of Substance

  • L 652813

Synonym

  • L-652813

Systematic Name

  • Pyridinium, 4-((2-carboxy-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 104023-63-4

System Generated Number

  • 0104023634

Structure Descriptors

InChI

1S/C24H22N6O5S2.Na/c1-28-24(26-19(31)20(32)27-28)37-13-15-12-36-22-17(21(33)30(22)18(15)23(34)35)25-16-7-9-29(10-8-16)11-14-5-3-2-4-6-14;/h2-10,17,22H,11-13H2,1H3,(H2,27,32,34,35);/q;+1/p-1/t17-,22+;/m0./s1

InChIKey

YKOVSJKTMQYZAG-OTCZLQCGSA-M

Smiles

[Na+].c1cc(cc[n+]1Cc1ccccc1)[N-][C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSc1n([nH]c(c(n1)=O)=O)C