methyl 3-(biphenylen-2-ylcarbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate

Systemtic Name: methyl 3-(biphenylen-2-ylcarbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate Openeye Name: methyl 3-(biphenylene-2-carbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate CAS Name: 3-[[2-biphenylenyl(oxo)methyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 3-(biphenylene-2-carbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-(biphenylene-2-carbonylamino)butyric acid methyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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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=CC3=C(C=C2)C4=CC=CC=C43

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)C4=CC=CC=C43

InChI

InChI=1S/C26H25N3O3/c1-15(22(26(31)32-2)13-16-6-5-7-17(12-16)24(27)28)29-25(30)18-10-11-21-19-8-3-4-9-20(19)23(21)14-18/h3-12,14-15,22H,13H2,1-2H3,(H3,27,28)(H,29,30)