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

Systemtic Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-4-oxidanyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-hydroxy-4-piperidyl]acetic acid CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-4-hydroxy-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-hydroxypiperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-4-hydroxy-4-piperidyl]acetic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-16(21)12-1-3-13(4-2-12)17-22-10-14(11-23-17)18(27)24-7-5-19(28,6-8-24)9-15(25)26/h1-4,10-11,28H,5-9H2,(H3,20,21)(H,25,26)