3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]-2-(dimethylamino)propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]-2-(dimethylamino)propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]-2-(dimethylamino)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]-2-(dimethylamino)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]-2-(dimethylamino)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]-2-(dimethylamino)propionic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CN(C)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-24(2)18(20(27)28)13-14-3-7-16(8-4-14)25-11-12-26(21(25)29)17-9-5-15(6-10-17)19(22)23/h3-12,18H,13H2,1-2H3,(H3,22,23)(H,27,28)