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

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-5-methoxy-5-oxidanylidene-2-phenoxy-pentanoic acid Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-methoxy-5-oxo-2-phenoxy-pentanoic acid CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-methoxy-5-oxo-2-phenoxypentanoic acid IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-methoxy-5-oxo-2-phenoxypentanoic acid Traditional Name: 2-[(4-amidinobenzoyl)amino]-5-keto-5-methoxy-2-phenoxy-valeric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)O)(NC(=O)C1=CC=C(C=C1)C(=N)N)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(C(=O)O)(NC(=O)C1=CC=C(C=C1)C(=N)N)OC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6/c1-28-16(24)11-12-20(19(26)27,29-15-5-3-2-4-6-15)23-18(25)14-9-7-13(8-10-14)17(21)22/h2-10H,11-12H2,1H3,(H3,21,22)(H,23,25)(H,26,27)