methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[6-(1-imidazolyl)-3-pyridinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(6-imidazol-1-ylnicotinoyl)amino]butyric acid methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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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=CN=C(C=C2)N3C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3/c1-14(18(22(30)31-2)11-15-4-3-5-16(10-15)20(23)24)27-21(29)17-6-7-19(26-12-17)28-9-8-25-13-28/h3-10,12-14,18H,11H2,1-2H3,(H3,23,24)(H,27,29)