methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]butanoate Openeye Name: methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-pyridyl)benzoyl]amino]butanoate CAS Name: (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-pyridin-3-ylbenzoyl)amino]butanoate Traditional Name: (2R,3R)-2-(3-amidinobenzyl)-3-[[4-(3-pyridyl)benzoyl]amino]butyric acid methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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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)C3=CN=CC=C3

Isomeric SMILES

C[C@H]([C@@H](CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)14-17-5-3-6-20(13-17)23(26)27)29-24(30)19-10-8-18(9-11-19)21-7-4-12-28-15-21/h3-13,15-16,22H,14H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1