3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazole-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazole-2-carbonyl]amino]propionic acid Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C3=NN=C(S3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)C3=NN=C(S3)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H20N4O3S/c22-14(23)7-10-19-15(24)17-21-20-16(25-17)13-3-1-11(2-4-13)12-5-8-18-9-6-12/h1-4,12,18H,5-10H2,(H,19,24)(H,22,23)