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

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(6-pyrrol-1-ylnicotinoyl)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=CN=C(C=C2)N3C=CC=C3

Isomeric SMILES

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

InChI

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