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

Systemtic Name: 2-azanyl-3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-2-pyrimidinyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[5-(4-amidinophenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]-2-amino-propionic acid Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CC(C(=O)O)N

Isomeric SMILES

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H19N7O2/c1-10-14(11-2-4-12(5-3-11)16(20)21)7-22-18(24-10)25-8-13(23-9-25)6-15(19)17(26)27/h2-5,7-9,15H,6,19H2,1H3,(H3,20,21)(H,26,27)