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

Systemtic Name: ethyl 2-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-5-18(17-10-8-7-9-11-17)21(25)24(13-12-16(3)4)14-20-23-19(15-28-20)22(26)27-6-2/h7-11,15-16,18H,5-6,12-14H2,1-4H3/t18-/m1/s1