(2R,3S)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)pentanamide

Systemtic Name: (2R,3S)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)pentanamide Openeye Name: (2R,3S)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)pentanamide CAS Name: (2R,3S)-3-methyl-2-(1-oxopropylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide IUPAC Name: (2R,3S)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)pentanamide Traditional Name: (2R,3S)-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-propionamido-valeramide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)CC

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)CC

InChI

InChI=1S/C17H22N4O2S/c1-4-11(3)14(18-13(22)5-2)15(23)19-17-21-20-16(24-17)12-9-7-6-8-10-12/h6-11,14H,4-5H2,1-3H3,(H,18,22)(H,19,21,23)/t11-,14+/m0/s1