2-azanyl-2-(1,3-benzothiazol-7-yl)-3-(2-morpholin-4-ylpyridin-4-yl)carbonyl-piperidine-1-carboxylic acid

Systemtic Name: 2-azanyl-2-(1,3-benzothiazol-7-yl)-3-(2-morpholin-4-ylpyridin-4-yl)carbonyl-piperidine-1-carboxylic acid Openeye Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-morpholinopyridine-4-carbonyl)piperidine-1-carboxylic acid CAS Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-[[2-(4-morpholinyl)-4-pyridinyl]-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-morpholin-4-ylpyridine-4-carbonyl)piperidine-1-carboxylic acid Traditional Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-morpholinoisonicotinoyl)piperidine-1-carboxylic acid Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)O)(C2=C3C(=CC=C2)N=CS3)N)C(=O)C4=CC(=NC=C4)N5CCOCC5

Isomeric SMILES

C1CC(C(N(C1)C(=O)O)(C2=C3C(=CC=C2)N=CS3)N)C(=O)C4=CC(=NC=C4)N5CCOCC5

InChI

InChI=1S/C23H25N5O4S/c24-23(17-3-1-5-18-21(17)33-14-26-18)16(4-2-8-28(23)22(30)31)20(29)15-6-7-25-19(13-15)27-9-11-32-12-10-27/h1,3,5-7,13-14,16H,2,4,8-12,24H2,(H,30,31)