2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(2-carboxyethyl)piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(2-carboxyethyl)piperidin-1-yl]propanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(2-carboxyethyl)-1-piperidyl]propanoic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-3-(2-carboxyethyl)-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(2-carboxyethyl)piperidin-1-yl]propanoic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-3-(2-carboxyethyl)piperidino]propionic acid Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(C(C1)CCC(=O)O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C(=O)O)N1CCC(C(C1)CCC(=O)O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H33N5O4/c1-15(22(30)31)27-9-8-19(17(14-27)4-7-20(28)29)26-12-10-25(11-13-26)18-5-2-16(3-6-18)21(23)24/h2-3,5-6,15,17,19H,4,7-14H2,1H3,(H3,23,24)(H,28,29)(H,30,31)