methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[2-(4-pyridyl)thiazole-4-carbonyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[2-(4-pyridyl)thiazole-4-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=CSC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CSC(=N2)C3=CC=NC=C3

InChI

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