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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4/c1-11(25)24(10-15(26)27)7-6-21-18(28)17-22-8-14(9-23-17)12-2-4-13(5-3-12)16(19)20/h2-5,8-9H,6-7,10H2,1H3,(H3,19,20)(H,21,28)(H,26,27)