3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[2-acetamido-4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]phenyl]propionic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H21N5O3/c1-12(27)25-17-10-16(7-4-13(17)8-9-19(28)29)21-24-11-18(26-21)14-2-5-15(6-3-14)20(22)23/h2-7,10-11H,8-9H2,1H3,(H3,22,23)(H,24,26)(H,25,27)(H,28,29)