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Substance Name: S 4404
RN: 143199-54-6
InChIKey: PGVQJGYCONKDDM-FPOVZHCZSA-N

Molecular Formula

  • C28-H33-N7-O9

Molecular Weight

  • 611.609
 
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Names and Synonyms

Name of Substance

  • S 4404

Synonyms

  • 4-Nitrobenzo-2-oxa-1,3-diazol-beta-ala-phe-5-oxapro-gly-t-butylester
  • Nbd-beta-ala-phe-opr-gly-otbu
  • S-4404

Systematic Name

  • Glycine, N-(7-nitro-4-benzofurazanyl)-beta-alanyl-L-phenylalanyl-L-3-isoxazolidinecarbonyl-, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 143199-54-6

System Generated Number

  • 0143199546

Structure Descriptors

InChI

1S/C28H33N7O9/c1-28(2,3)43-23(37)16-30-26(38)21-12-14-42-34(21)27(39)19(15-17-7-5-4-6-8-17)31-22(36)11-13-29-18-9-10-20(35(40)41)25-24(18)32-44-33-25/h4-10,19,21,29H,11-16H2,1-3H3,(H,30,38)(H,31,36)/t19-,21-/m0/s1

InChIKey

PGVQJGYCONKDDM-FPOVZHCZSA-N

Smiles

C(N[C@H](C(N1OCC[C@H]1C(NCC(OC(C)(C)C)=O)=O)=O)Cc1ccccc1)(CCNc1c2c(c(cc1)[N+]([O-])=O)non2)=O