2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)-3-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(carboxymethyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-1-(carboxymethyl)-3-piperidyl]acetic acid Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c21-20(22)14-1-3-16(4-2-14)24-7-9-25(10-8-24)17-5-6-23(13-19(28)29)12-15(17)11-18(26)27/h1-4,15,17H,5-13H2,(H3,21,22)(H,26,27)(H,28,29)