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Substance Name: Ammonium (S)-5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoate
RN: 63699-78-5
InChIKey: GFABNNMTRVBLPZ-QRPNPIFTSA-N

Molecular Formula

  • C12-H13-N3-O7.H3-N

Molecular Weight

  • 328.2794
 
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Names and Synonyms

Synonym

  • EINECS 264-418-7

Systematic Name

  • Ammonium (S)-5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 63699-78-5

System Generated Number

  • 0063699785

Molecular Formulas

Molecular Formula

  • C12-H13-N3-O7.H3-N

Molecular Formula Fragments

  • C12-H13-N3-O7
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3/t8-;/m0./s1

InChIKey

GFABNNMTRVBLPZ-QRPNPIFTSA-N

Smiles

c1cc(c(cc1NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)O)[N+](=O)[O-].[NH4+]