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Mehyl (S)-3-[3-(1,1-Dimethylethoxycarbonyl)-2-mercapto-1H-imidazol-4-yl)-2-[(1,1-dimethylethoxycarbonyl)amino]propionate
SpectraBase Compound ID Dfwg9VgTufI
InChI InChI=1S/C17H27N3O6S/c1-16(2,3)25-14(22)19-11(12(21)24-7)8-10-9-18-13(27)20(10)15(23)26-17(4,5)6/h9,11H,8H2,1-7H3,(H,18,27)(H,19,22)/t11-/m0/s1
InChIKey SUYZYMLCPMSRBH-NSHDSACASA-N
Mol Weight 401.48 g/mol
Molecular Formula C17H27N3O6S
Exact Mass 401.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AYJhJ8kIp1
Name Mehyl (S)-3-[3-(1,1-Dimethylethoxycarbonyl)-2-mercapto-1H-imidazol-4-yl)-2-[(1,1-dimethylethoxycarbonyl)amino]propionate
Alternate Name(s) 4-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-2-sulfanylidene-1H-imidazole-3-carboxylic acid tert-butyl ester tert-Butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-2-sulfanylidene-1H-imidazole-3-carboxylate tert-Butyl 4-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]-2-thioxo-1H-imidazole-3-carboxylate tert-Butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-imidazole-3-carboxylate
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Formula C17H27N3O6S
InChI InChI=1S/C17H27N3O6S/c1-16(2,3)25-14(22)19-11(12(21)24-7)8-10-9-18-13(27)20(10)15(23)26-17(4,5)6/h9,11H,8H2,1-7H3,(H,18,27)(H,19,22)/t11-/m0/s1
InChIKey SUYZYMLCPMSRBH-NSHDSACASA-N
Molecular Weight 401.478 g/mol
SMILES N1C=C(C[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])N(C(OC(C)(C)C)=O)C1=S
SPLASH splash10-0k92-3493000000-4657be965872e850890e
Source of Spectrum J-60-6300-8
Wiley ID 1369896