2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]propanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-4-piperidyl]propanoic acid CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-4-yl]propanoic acid Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-4-piperidyl]propionic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C20H23N5O3/c1-12(20(27)28)13-6-8-25(9-7-13)19(26)18-23-10-16(11-24-18)14-2-4-15(5-3-14)17(21)22/h2-5,10-13H,6-9H2,1H3,(H3,21,22)(H,27,28)