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Diethyl N-[p-(3-Benzyloxycarbonyl-2,2-dimethylthiazolidin-4-yl)methylaminobenzoyl]glutamate
SpectraBase Compound ID DeEYVChDZoT
InChI InChI=1S/C30H39N3O7S/c1-5-38-26(34)17-16-25(28(36)39-6-2)32-27(35)22-12-14-23(15-13-22)31-18-24-20-41-30(3,4)33(24)29(37)40-19-21-10-8-7-9-11-21/h7-15,24-25,31H,5-6,16-20H2,1-4H3,(H,32,35)
InChIKey YKPAMGHDJCSETN-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C30H39N3O7S
Exact Mass 585.250872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TBqbNarMv1
Name Diethyl N-[p-(3-Benzyloxycarbonyl-2,2-dimethylthiazolidin-4-yl)methylaminobenzoyl]glutamate
Alternate Name(s) Diethyl 2-({4-[({3-[(benzyloxy)carbonyl]-2,2-dimethyl-1,3-thiazolidin-4-yl}methyl)amino]benzoyl}amino)pentanedioate
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Formula C30H39N3O7S
InChI InChI=1S/C30H39N3O7S/c1-5-38-26(34)17-16-25(28(36)39-6-2)32-27(35)22-12-14-23(15-13-22)31-18-24-20-41-30(3,4)33(24)29(37)40-19-21-10-8-7-9-11-21/h7-15,24-25,31H,5-6,16-20H2,1-4H3,(H,32,35)
InChIKey YKPAMGHDJCSETN-UHFFFAOYSA-N
Molecular Weight 585.716 g/mol
SMILES N(CC1N(C(OCc2ccccc2)=O)C(SC1)(C)C)c1ccc(C(NC(C(=O)OCC)CCC(=O)OCC)=O)cc1
SPLASH splash10-000x-9711000000-ada81fdc313264fc905d
Source of Spectrum E1-40-51-18
Wiley ID 1519344