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Ethyl 2-[({[2-(benzoylamino)-4-methylpentanoyl]oxy}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SpectraBase Compound ID 1c05itGJIkQ
InChI InChI=1S/C22H27N3O6S/c1-5-30-21(29)18-14(4)23-22(32-18)25-17(26)12-31-20(28)16(11-13(2)3)24-19(27)15-9-7-6-8-10-15/h6-10,13,16H,5,11-12H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKey ZXIQXVNCAACNOM-UHFFFAOYSA-N
Mol Weight 461.53 g/mol
Molecular Formula C22H27N3O6S
Exact Mass 461.162057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGO2ULCoI5e
Name Ethyl 2-[({[2-(benzoylamino)-4-methylpentanoyl]oxy}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 461.162056769 u
Formula C22H27N3O6S
InChI InChI=1S/C22H27N3O6S/c1-5-30-21(29)18-14(4)23-22(32-18)25-17(26)12-31-20(28)16(11-13(2)3)24-19(27)15-9-7-6-8-10-15/h6-10,13,16H,5,11-12H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKey ZXIQXVNCAACNOM-UHFFFAOYSA-N
Molecular Weight 461.533 g/mol
SMILES N(C=1SC(=C(N1)C)C(=O)OCC)C(COC(C(NC(=O)C1=CC=CC=C1)CC(C)C)=O)=O