methyl 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-imidazolidin-1-yl]propanoate hydrochloride CAS Name: 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate hydrochloride Traditional Name: 3-[3-[2-acetamido-4-(4-amidinophenyl)phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester hydrochloride Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)OC.Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)OC.Cl

InChI

InChI=1S/C22H25N5O4.ClH/c1-14(28)25-18-13-17(15-3-5-16(6-4-15)21(23)24)7-8-19(18)27-12-11-26(22(27)30)10-9-20(29)31-2;/h3-8,13H,9-12H2,1-2H3,(H3,23,24)(H,25,28);1H