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Substance Name: YM-13115 free acid
RN: 84728-38-1
UNII: YS8WKE73DF
InChIKey: VAWGRRAOBMTZDZ-ABNFUVILSA-N

Molecular Formula

  • C21-H20-N6-O10-S4

Molecular Weight

  • 644.685
 
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Names and Synonyms

Name of Substance

  • YM-13115 free acid

Synonyms

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(((4-carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(((4-carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio)methyl)-8-oxo-, (6R,7R)-
  • UNII-YS8WKE73DF
  • YM-13115 free acid

Registry Numbers

CAS Registry Number

  • 84728-38-1

FDA UNII

  • YS8WKE73DF

System Generated Number

  • 0084728381

Structure Descriptors

InChI

1S/C21H20N6O10S4/c1-21(2,19(35)36)37-25-9(7-5-40-20(22)23-7)13(29)24-10-14(30)27-11(17(33)34)6(3-38-15(10)27)4-39-18-8(16(31)32)12(28)26-41-18/h5,10,15H,3-4H2,1-2H3,(H2,22,23)(H,24,29)(H,26,28)(H,31,32)(H,33,34)(H,35,36)/b25-9-/t10-,15-/m1/s1

InChIKey

VAWGRRAOBMTZDZ-ABNFUVILSA-N

Smiles

CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSC3=C(C(=O)O)C(=O)NS3)\c4csc(N)n4)C(=O)O