3-[4-(1-carbamimidoylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-yl]propanoic acid

Systemtic Name: 3-[4-(1-carbamimidoylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-yl]propanoic acid Openeye Name: 3-[4-(1-carbamimidoyl-4-piperidyl)-5-phenyl-thiazol-2-yl]propanoic acid CAS Name: 3-[4-(1-carbamimidoyl-4-piperidinyl)-5-phenyl-2-thiazolyl]propanoic acid IUPAC Name: 3-[4-(1-carbamimidoylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-yl]propanoic acid Traditional Name: 3-[4-(1-amidino-4-piperidyl)-5-phenyl-thiazol-2-yl]propionic acid Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(SC(=N2)CCC(=O)O)C3=CC=CC=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C2=C(SC(=N2)CCC(=O)O)C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C18H22N4O2S/c19-18(20)22-10-8-12(9-11-22)16-17(13-4-2-1-3-5-13)25-14(21-16)6-7-15(23)24/h1-5,12H,6-11H2,(H3,19,20)(H,23,24)