2-azanyl-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[5-(4-amidinophenyl)pyrimidin-2-yl]imidazol-4-yl]-2-amino-propionic acid Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(N=C3)CC(C(=O)O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(N=C3)CC(C(=O)O)N)C(=N)N

InChI

InChI=1S/C17H17N7O2/c18-14(16(25)26)5-13-8-24(9-23-13)17-21-6-12(7-22-17)10-1-3-11(4-2-10)15(19)20/h1-4,6-9,14H,5,18H2,(H3,19,20)(H,25,26)