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(S)-1-(2-Carboxy-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-4-methylpentane
SpectraBase Compound ID 1jrVof2GJO9
InChI InChI=1S/C18H27NO4S3/c1-13(2)11-15(12-18(17(20)21)24-9-4-10-25-18)19-26(22,23)16-7-5-14(3)6-8-16/h5-8,13,15,19H,4,9-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKey ACYKTVSQYCPZFN-HNNXBMFYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C18H27NO4S3
Exact Mass 417.110222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9064KEsl8TB
Name (S)-1-(2-Carboxy-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-4-methylpentane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4S3
InChI InChI=1S/C18H27NO4S3/c1-13(2)11-15(12-18(17(20)21)24-9-4-10-25-18)19-26(22,23)16-7-5-14(3)6-8-16/h5-8,13,15,19H,4,9-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKey ACYKTVSQYCPZFN-HNNXBMFYSA-N
Molecular Weight 417.597 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](CC1(C(=O)O)SCCCS1)(CC(C)C)[H]
SPLASH splash10-0006-7090000000-030aaca0b7f6fd7b4ba0
Source of Spectrum KC-0-2441-20
Synonyms 2-[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentyl]-1,3-dithiane-2-carboxylic acid 2-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]-1,3-dithiane-2-carboxylic acid
Wiley ID 784284