4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-methyl-amino]butanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H19N5O3/c1-22(8-2-3-14(23)24)17(25)16-20-9-13(10-21-16)11-4-6-12(7-5-11)15(18)19/h4-7,9-10H,2-3,8H2,1H3,(H3,18,19)(H,23,24)