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4-(1H-benzimidazol-2-ylsulfanyl)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
SpectraBase Compound ID 6llZ1RjCrtY
InChI InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)20-9-10(8-13(20)14(21)22)25-15-18-11-6-4-5-7-12(11)19-15/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKey POGCYWBOSNGZOQ-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C17H21N3O4S
Exact Mass 363.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdZiqGSfB3j
Name 4-(1H-benzimidazol-2-ylsulfanyl)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O4S
InChI InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)20-9-10(8-13(20)14(21)22)25-15-18-11-6-4-5-7-12(11)19-15/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKey POGCYWBOSNGZOQ-UHFFFAOYSA-N
Molecular Weight 363.432 g/mol
SMILES [nH]1c2ccccc2nc1SC1CN(C(C(=O)O)C1)C(OC(C)(C)C)=O
SPLASH splash10-0udi-9800000000-325290993e943e4b4637
Synonyms 4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 4-(1H-benzimidazol-2-ylthio)-1-tert-butoxycarbonyl-proline 4-(1H-benzimidazol-2-ylthio)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate 4-(1H-benzimidazol-3-ium-2-ylthio)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate 4-(1H-benzimidazol-3-ium-2-ylthio)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate
Wiley ID 1452873