methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazol-5-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[2-(3-pyridyl)thiazole-5-carbonyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[2-(3-pyridinyl)-5-thiazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[2-(3-pyridyl)thiazole-5-carbonyl]amino]butyric acid methyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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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(S2)C3=CN=CC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CN=C(S2)C3=CN=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-13(17(22(29)30-2)10-14-5-3-6-15(9-14)19(23)24)27-20(28)18-12-26-21(31-18)16-7-4-8-25-11-16/h3-9,11-13,17H,10H2,1-2H3,(H3,23,24)(H,27,28)