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1H-Thieno[3,4-d]imidazol-4-pentanoic acid hexahydro-2-oxo-1,3-dibenzyl methyl ester
SpectraBase Compound ID 5ebyS9Mtalq
InChI InChI=1S/C25H30N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-7,10-13,21-22,24H,8-9,14-18H2,1H3/t21-,22-,24-/m0/s1
InChIKey BYKIUQGQPWHSRX-FIXSFTCYSA-N
Mol Weight 438.59 g/mol
Molecular Formula C25H30N2O3S
Exact Mass 438.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wM4KUzJKFS
Name 1H-Thieno[3,4-d]imidazol-4-pentanoic acid hexahydro-2-oxo-1,3-dibenzyl methyl ester
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Formula C25H30N2O3S
InChI InChI=1S/C25H30N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-7,10-13,21-22,24H,8-9,14-18H2,1H3/t21-,22-,24-/m0/s1
InChIKey BYKIUQGQPWHSRX-FIXSFTCYSA-N
Molecular Weight 438.586 g/mol
SMILES C1(N([C@]2(CS[C@]([C@]2(N1Cc1ccccc1)[H])(CCCCC(=O)OC)[H])[H])Cc1ccccc1)=O
SPLASH splash10-0006-9141000000-3efbfb09e02931ef2394
Source of Spectrum J-66-6200-20
Synonyms 5-[(3aS,4S,6aR)-2-oxo-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid methyl ester Methyl 5-[(3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoate Methyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Wiley ID 1535860