3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)-3-piperidyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(carboxymethyl)-3-piperidinyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)piperazino]-1-(carboxymethyl)-3-piperidyl]propionic acid Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O)CC(=O)O

InChI

InChI=1S/C21H31N5O4/c22-21(23)15-1-4-17(5-2-15)25-9-11-26(12-10-25)18-7-8-24(14-20(29)30)13-16(18)3-6-19(27)28/h1-2,4-5,16,18H,3,6-14H2,(H3,22,23)(H,27,28)(H,29,30)