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2-[4-[(2S)-2-[(4-amidinophenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester
SpectraBase Compound ID HJgvE1OV3fW
InChI InChI=1S/C19H23N3O5S/c1-13(11-14-3-7-16(8-4-14)27-12-18(23)26-2)22-28(24,25)17-9-5-15(6-10-17)19(20)21/h3-10,13,22H,11-12H2,1-2H3,(H3,20,21)/t13-/m0/s1
InChIKey OJVABAUEUZZFHI-ZDUSSCGKSA-N
Mol Weight 405.47 g/mol
Molecular Formula C19H23N3O5S
Exact Mass 405.135842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xi14npudB8
Name 2-[4-[(2S)-2-[(4-amidinophenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester
Alternate Name(s) 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester methyl 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate methyl 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H23N3O5S
InChI InChI=1S/C19H23N3O5S/c1-13(11-14-3-7-16(8-4-14)27-12-18(23)26-2)22-28(24,25)17-9-5-15(6-10-17)19(20)21/h3-10,13,22H,11-12H2,1-2H3,(H3,20,21)/t13-/m0/s1
InChIKey OJVABAUEUZZFHI-ZDUSSCGKSA-N
Molecular Weight 405.469 g/mol
SMILES N(S(c1ccc(C(=N)N)cc1)(=O)=O)[C@](Cc1ccc(OCC(=O)OC)cc1)(C)[H]
SPLASH splash10-0a4i-0090000000-0dd59e980f1726b9cc0b
Source of Spectrum E1-35-4402-10
Wiley ID 1574582