5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(3-pyridin-3-ylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(3-pyridin-3-ylphenyl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[[3-(3-pyridyl)benzoyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[oxo-[3-(3-pyridinyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[(3-pyridin-3-ylbenzoyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[[3-(3-pyridyl)benzoyl]amino]valeric acid Formula: C27H26N4O7 MolecularWeight: 518.51794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C27H26N4O7/c28-25(29)18-7-6-17(12-22(32)27(36)37)23(13-18)38-15-21(8-9-24(33)34)31-26(35)19-4-1-3-16(11-19)20-5-2-10-30-14-20/h1-7,10-11,13-14,21H,8-9,12,15H2,(H3,28,29)(H,31,35)(H,33,34)(H,36,37)