methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-4-ylthiophen-2-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-4-ylthiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(4-pyridyl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(4-pyridin-4-yl-2-thiophenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-4-ylthiophene-2-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(4-pyridyl)thiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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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(=CS2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CC=NC=C3

InChI

InChI=1S/C23H24N4O3S/c1-14(19(23(29)30-2)11-15-4-3-5-17(10-15)21(24)25)27-22(28)20-12-18(13-31-20)16-6-8-26-9-7-16/h3-10,12-14,19H,11H2,1-2H3,(H3,24,25)(H,27,28)