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(S)-1-(2-Carboxy-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-3-phenylpropane

View entire compound with spectra: 1 MS (GC)

(S)-1-(2-Carboxy-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-3-phenylpropane
SpectraBase Compound ID 50F1ZtLzj5Z
InChI InChI=1S/C21H25NO4S3/c1-16-8-10-19(11-9-16)29(25,26)22-18(14-17-6-3-2-4-7-17)15-21(20(23)24)27-12-5-13-28-21/h2-4,6-11,18,22H,5,12-15H2,1H3,(H,23,24)/t18-/m0/s1
InChIKey MATXXWIKGWLUKQ-SFHVURJKSA-N
Mol Weight 451.61 g/mol
Molecular Formula C21H25NO4S3
Exact Mass 451.094572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6b0crOiKVh
Name (S)-1-(2-Carboxy-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-3-phenylpropane
Alternate Name(s) 2-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl]-1,3-dithiane-2-carboxylic acid 2-[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propyl]-1,3-dithiane-2-carboxylic acid 2-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl]-1,3-dithiane-2-carboxylic acid
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Formula C21H25NO4S3
InChI InChI=1S/C21H25NO4S3/c1-16-8-10-19(11-9-16)29(25,26)22-18(14-17-6-3-2-4-7-17)15-21(20(23)24)27-12-5-13-28-21/h2-4,6-11,18,22H,5,12-15H2,1H3,(H,23,24)/t18-/m0/s1
InChIKey MATXXWIKGWLUKQ-SFHVURJKSA-N
Molecular Weight 451.614 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](CC1(C(=O)O)SCCCS1)(Cc1ccccc1)[H]
SPLASH splash10-014m-9700000000-09047d7449b331fc70f3
Source of Spectrum KC-0-2442-18
Wiley ID 784289