methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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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=C(C=C2)N3C=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-16(21(24(30)31-2)15-17-6-5-7-19(14-17)22(25)26)27-23(29)18-8-10-20(11-9-18)28-12-3-4-13-28/h3-14,16,21H,15H2,1-2H3,(H3,25,26)(H,27,29)