5-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-[[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-[[5-(4-amidinophenyl)pyrimidine-2-carbonyl]amino]valeric acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)C(=O)NCCCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)C(=O)NCCCCC(=O)O)C(=N)N

InChI

InChI=1S/C17H19N5O3/c18-15(19)12-6-4-11(5-7-12)13-9-21-16(22-10-13)17(25)20-8-2-1-3-14(23)24/h4-7,9-10H,1-3,8H2,(H3,18,19)(H,20,25)(H,23,24)