Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: gamma-Glutamyl-S-(2-(2-(3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thienyl)-2-oxoethyl)-5,6-dihydroxy-3-methylphenyl)-L-cysteinyl-glycine, L-
RN: 1439124-09-0
UNII: 9Y2LY1JIQK
InChIKey: SVBBZUSELHPUJQ-GJZGRUSLSA-N

Molecular Formula

  • C27-H30-Cl-N5-O12-S3

Molecular Weight

  • 748.208
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • gamma-Glutamyl-S-(2-(2-(3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thienyl)-2-oxoethyl)-5,6-dihydroxy-3-methylphenyl)-L-cysteinyl-glycine, L-

Synonyms

  • gamma-Glutamyl-S-(2-(2-(3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thienyl)-2-oxoethyl)-5,6-dihydroxy-3-methylphenyl)-L-cysteinyl-glycine, L-
  • Glycine, L-gamma-glutamyl-S-(2-(2-(3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thienyl)-2-oxoethyl)-5,6-dihydroxy-3-methylphenyl)-L-cysteinyl-
  • Sitaxentan metabolite M3
  • UNII-9Y2LY1JIQK

Registry Numbers

CAS Registry Number

  • 1439124-09-0

FDA UNII

  • 9Y2LY1JIQK

System Generated Number

  • 1439124090

Structure Descriptors

InChI

1S/C27H30ClN5O12S3/c1-11-7-16(34)22(39)23(47-10-15(25(40)30-9-20(37)38)31-19(36)4-3-14(29)27(41)42)13(11)8-17(35)24-18(5-6-46-24)48(43,44)33-26-21(28)12(2)32-45-26/h5-7,14-15,33-34,39H,3-4,8-10,29H2,1-2H3,(H,30,40)(H,31,36)(H,37,38)(H,41,42)/t14-,15-/m0/s1

InChIKey

SVBBZUSELHPUJQ-GJZGRUSLSA-N

Smiles

Cc1cc(c(c(c1CC(=O)c2c(ccs2)S(=O)(=O)Nc3c(c(no3)C)Cl)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O