(2S,3S)-2-azanyl-N-(1,3-benzothiazol-2-yl)-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-azanyl-N-(1,3-benzothiazol-2-yl)-3-methyl-pentanamide Openeye Name: (2S,3S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methyl-pentanamide CAS Name: (2S,3S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylpentanamide Traditional Name: (2S,3S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methyl-valeramide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N

InChI

InChI=1S/C13H17N3OS/c1-3-8(2)11(14)12(17)16-13-15-9-6-4-5-7-10(9)18-13/h4-8,11H,3,14H2,1-2H3,(H,15,16,17)/t8-,11-/m0/s1