methyl 2-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(2R)-1-oxo-2-phenylbutyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

InChI

InChI=1S/C21H28N2O3S/c1-5-17(16-9-7-6-8-10-16)20(24)23(12-11-15(2)3)13-19-22-18(14-27-19)21(25)26-4/h6-10,14-15,17H,5,11-13H2,1-4H3/t17-/m1/s1