methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(3-imidazol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(3-imidazol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[3-(1-imidazolyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(3-imidazol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3

InChI

InChI=1S/C23H25N5O3/c1-15(20(23(30)31-2)12-16-5-3-6-17(11-16)21(24)25)27-22(29)18-7-4-8-19(13-18)28-10-9-26-14-28/h3-11,13-15,20H,12H2,1-2H3,(H3,24,25)(H,27,29)