(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide Openeye Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide CAS Name: (2S)-N-(4,5-dimethyl-2-thiazolyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide Traditional Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-(hydrocinnamoylamino)-3-phenyl-propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O2S/c1-16-17(2)29-23(24-16)26-22(28)20(15-19-11-7-4-8-12-19)25-21(27)14-13-18-9-5-3-6-10-18/h3-12,20H,13-15H2,1-2H3,(H,25,27)(H,24,26,28)/t20-/m0/s1