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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)C3=CSC(=N3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)C3=CSC(=N3)CCC(=O)O)C(=N)N

InChI

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