3-[3-[2-azanyl-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-[2-azanyl-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[2-amino-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[2-amino-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[2-amino-4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-amino-phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCC(=O)O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

C1CN(C(=O)N1CCC(=O)O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C19H21N5O3/c20-15-11-14(12-1-3-13(4-2-12)18(21)22)5-6-16(15)24-10-9-23(19(24)27)8-7-17(25)26/h1-6,11H,7-10,20H2,(H3,21,22)(H,25,26)