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N(1)-(p-Hydroxybenzoyl)-N(4)-(imino)aminomethyl]-1-(hydroxycarbonyl)butane-1,4-diamine
SpectraBase Compound ID JZSAgnimFAd
InChI InChI=1S/C13H18N4O4/c14-13(15)16-7-1-2-10(12(20)21)17-11(19)8-3-5-9(18)6-4-8/h3-6,10,18H,1-2,7H2,(H,17,19)(H,20,21)(H4,14,15,16)/t10-/m0/s1
InChIKey OXFMZUXYRCDDRG-JTQLQIEISA-N
Mol Weight 294.31 g/mol
Molecular Formula C13H18N4O4
Exact Mass 294.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVhJAroXA04
Name N(1)-(p-Hydroxybenzoyl)-N(4)-(imino)aminomethyl]-1-(hydroxycarbonyl)butane-1,4-diamine
Alternate Name(s) (2S)-5-(diaminomethylideneamino)-2-[[(4-hydroxyphenyl)-oxomethyl]amino]pentanoic acid (2S)-5-(diaminomethylideneamino)-2-[(4-hydroxybenzoyl)amino]pentanoic acid (2S)-5-guanidino-2-[(4-hydroxybenzoyl)amino]pentanoic acid (2S)-5-[bis(azanyl)methylideneamino]-2-[(4-hydroxyphenyl)carbonylamino]pentanoic acid
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Formula C13H18N4O4
InChI InChI=1S/C13H18N4O4/c14-13(15)16-7-1-2-10(12(20)21)17-11(19)8-3-5-9(18)6-4-8/h3-6,10,18H,1-2,7H2,(H,17,19)(H,20,21)(H4,14,15,16)/t10-/m0/s1
InChIKey OXFMZUXYRCDDRG-JTQLQIEISA-N
Molecular Weight 294.311 g/mol
SMILES N(C(c1ccc(cc1)O)=O)[C@@](CCCNC(=N)N)(C(=O)O)[H]
SPLASH splash10-00di-1900000000-5eaafdb827e3fb8e229e
Source of Spectrum G4-59-784-1
Wiley ID 1606454