2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-methyl-amino]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-methyl-amino]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]-methyl-amino]-1-piperidyl]acetic acid CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]-methylamino]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-methylamino]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]-methyl-amino]piperidino]acetic acid Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCN(CC1)CC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H23N5O2S/c1-22(14-6-8-23(9-7-14)10-16(24)25)18-21-15(11-26-18)12-2-4-13(5-3-12)17(19)20/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,24,25)