4-[(4-carbamimidoylphenyl)carbonylamino]-5-(4-methoxyphenyl)-3-oxidanylidene-2-phenoxy-pentanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)carbonylamino]-5-(4-methoxyphenyl)-3-oxidanylidene-2-phenoxy-pentanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-5-(4-methoxyphenyl)-3-oxo-2-phenoxy-pentanoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-(4-methoxyphenyl)-3-oxo-2-phenoxypentanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-5-(4-methoxyphenyl)-3-oxo-2-phenoxypentanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-3-keto-5-(4-methoxyphenyl)-2-phenoxy-valeric acid Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)C(C(=O)O)OC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)C(C(=O)O)OC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H25N3O6/c1-34-19-13-7-16(8-14-19)15-21(29-25(31)18-11-9-17(10-12-18)24(27)28)22(30)23(26(32)33)35-20-5-3-2-4-6-20/h2-14,21,23H,15H2,1H3,(H3,27,28)(H,29,31)(H,32,33)