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2-(4-(3-(4-(N-carbamimidoylsulfamoyl)phenyl)thioureido)benzamido)acetic acid
SpectraBase Compound ID Li0SEsqsM6k
InChI InChI=1S/C17H18N6O5S2/c18-16(19)23-30(27,28)13-7-5-12(6-8-13)22-17(29)21-11-3-1-10(2-4-11)15(26)20-9-14(24)25/h1-8H,9H2,(H,20,26)(H,24,25)(H4,18,19,23)(H2,21,22,29)
InChIKey MKDGKXRFSUDUOR-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C17H18N6O5S2
Exact Mass 450.07801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0WOa7UcyNu
Name 2-(4-(3-(4-(N-carbamimidoylsulfamoyl)phenyl)thioureido)benzamido)acetic acid
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Formula C17H18N6O5S2
InChI InChI=1S/C17H18N6O5S2/c18-16(19)23-30(27,28)13-7-5-12(6-8-13)22-17(29)21-11-3-1-10(2-4-11)15(26)20-9-14(24)25/h1-8H,9H2,(H,20,26)(H,24,25)(H4,18,19,23)(H2,21,22,29)
InChIKey MKDGKXRFSUDUOR-UHFFFAOYSA-N
Molecular Weight 450.488 g/mol
SMILES N(S(c1ccc(NC(Nc2ccc(C(NCC(=O)O)=O)cc2)=S)cc1)(=O)=O)C(=N)N
SPLASH splash10-03e9-9325700000-b782762564a1db4487d4
Source of Spectrum EMC-64-118-7c
Synonyms 2-[[[4-[[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid 2-[[4-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioylamino]benzoyl]amino]acetic acid 2-[[4-[(4-guanidinosulfonylphenyl)carbamothioylamino]benzoyl]amino]acetic acid 2-[[4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]phenyl]carbonylamino]ethanoic acid
Wiley ID 1735540