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2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID 2GAitAAwgGN
InChI InChI=1S/C20H21N3O3S2/c1-26-19(25)17(12-27-11-14-7-3-2-4-8-14)21-18(24)13-28-20-22-15-9-5-6-10-16(15)23-20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKey GDRLRBCLQZQPAW-UHFFFAOYSA-N
Mol Weight 415.53 g/mol
Molecular Formula C20H21N3O3S2
Exact Mass 415.102434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsrBDUYZEej
Name 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Alternate Name(s) 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-(benzylthio)propionic acid methyl ester Methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-benzylsulfanyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O3S2
InChI InChI=1S/C20H21N3O3S2/c1-26-19(25)17(12-27-11-14-7-3-2-4-8-14)21-18(24)13-28-20-22-15-9-5-6-10-16(15)23-20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKey GDRLRBCLQZQPAW-UHFFFAOYSA-N
Molecular Weight 415.526 g/mol
SMILES N(C(CSc1nc2c([nH]1)cccc2)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-0006-8912000000-d84f8889ff9e3017003a
Wiley ID 1512194