3-[[2-(4-piperidin-4-ylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-piperidin-4-ylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-isopropyl-2-[4-(4-piperidyl)piperazin-1-yl]thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[2-[4-(4-piperidinyl)-1-piperazinyl]-4-propan-2-yl-5-thiazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-piperidin-4-ylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-isopropyl-2-[4-(4-piperidyl)piperazino]thiazole-5-carbonyl]amino]propionic acid Formula: C19H31N5O3S MolecularWeight: 409.54614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(SC(=N1)N2CCN(CC2)C3CCNCC3)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)C1=C(SC(=N1)N2CCN(CC2)C3CCNCC3)C(=O)NCCC(=O)O

InChI

InChI=1S/C19H31N5O3S/c1-13(2)16-17(18(27)21-8-5-15(25)26)28-19(22-16)24-11-9-23(10-12-24)14-3-6-20-7-4-14/h13-14,20H,3-12H2,1-2H3,(H,21,27)(H,25,26)