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(3aS,4S,6aR)-1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one-4-ylpentanoic Acid
SpectraBase Compound ID 9bCzFMap35o
InChI InChI=1S/C24H28N2O3S/c27-22(28)14-8-7-13-21-23-20(17-30-21)25(15-18-9-3-1-4-10-18)24(29)26(23)16-19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2,(H,27,28)/t20-,21-,23-/m0/s1
InChIKey PGESDSQUYHPLRY-FUDKSRODSA-N
Mol Weight 424.56 g/mol
Molecular Formula C24H28N2O3S
Exact Mass 424.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34hUZzFGEYf
Name (3aS,4S,6aR)-1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one-4-ylpentanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O3S
InChI InChI=1S/C24H28N2O3S/c27-22(28)14-8-7-13-21-23-20(17-30-21)25(15-18-9-3-1-4-10-18)24(29)26(23)16-19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2,(H,27,28)/t20-,21-,23-/m0/s1
InChIKey PGESDSQUYHPLRY-FUDKSRODSA-N
Literature Reference DOI 10.1002/adsc.200404311
Molecular Weight 424.559 g/mol
SMILES OC(CCCC[C@@]1(SC[C@@]2(N(Cc3ccccc3)C(=O)N([C@]12[H])Cc1ccccc1)[H])[H])=O
SPLASH splash10-0006-9420400000-f49964827bd1771d26bd
Source of Spectrum ASC-347-553-10
Synonyms 5-((3aS,4S,6aR)-1,3-dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid 5-[(3aS,4S,6aR)-2-oxo-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid 5-[(3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Wiley ID 1767876