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5-(dipropylamino)-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(dipropylamino)-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid
SpectraBase Compound ID AFQuolHKn3U
InChI InChI=1S/C18H28N2O5S/c1-4-12-20(13-5-2)18(23)16(10-11-17(21)22)19-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,19H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKey KLESBQKGNFSAII-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C18H28N2O5S
Exact Mass 384.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BV7aE5rfxQ9
Name 5-(dipropylamino)-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid
Alternate Name(s) 5-(dipropylamino)-4-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid 5-(dipropylamino)-5-keto-4-(tosylamino)valeric acid 5-(dipropylamino)-5-oxo-4-(p-tolylsulfonylamino)pentanoic acid
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Formula C18H28N2O5S
InChI InChI=1S/C18H28N2O5S/c1-4-12-20(13-5-2)18(23)16(10-11-17(21)22)19-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,19H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKey KLESBQKGNFSAII-UHFFFAOYSA-N
Molecular Weight 384.491 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(CCC(=O)O)C(N(CCC)CCC)=O
SPLASH splash10-052f-9240000000-b7874bc7abfe4b55569c
Wiley ID 1451108