(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C22H23N3O3S/c1-14(2)19(25-20(26)16-8-6-7-15(3)11-16)22(27)28-12-17-13-29-21(24-17)18-9-4-5-10-23-18/h4-11,13-14,19H,12H2,1-3H3,(H,25,26)/t19-/m0/s1