2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-4-(carboxymethyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-4-(carboxymethyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-(carboxymethyl)-4-piperidyl]acetic acid CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-4-(carboxymethyl)-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-(carboxymethyl)piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-4-(carboxymethyl)-4-piperidyl]acetic acid Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)O)CC(=O)O)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1(CC(=O)O)CC(=O)O)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O5/c22-18(23)13-1-3-14(4-2-13)19-24-11-15(12-25-19)20(31)26-7-5-21(6-8-26,9-16(27)28)10-17(29)30/h1-4,11-12H,5-10H2,(H3,22,23)(H,27,28)(H,29,30)