2-[[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-ethyl-amino]-ethanoyl-amino]ethanoic acid

Systemtic Name: 2-[[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-ethyl-amino]-ethanoyl-amino]ethanoic acid Openeye Name: 2-[acetyl-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-ethyl-amino]amino]acetic acid CAS Name: 2-[acetyl-[[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-ethylamino]amino]acetic acid IUPAC Name: 2-[acetyl-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-ethylamino]amino]acetic acid Traditional Name: 2-[acetyl-[[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-ethyl-amino]amino]acetic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N)N(CC(=O)O)C(=O)C

Isomeric SMILES

CCN(C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N)N(CC(=O)O)C(=O)C

InChI

InChI=1S/C18H20N6O4/c1-3-23(24(11(2)25)10-15(26)27)18(28)17-21-8-14(9-22-17)12-4-6-13(7-5-12)16(19)20/h4-9H,3,10H2,1-2H3,(H3,19,20)(H,26,27)