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

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(2-methoxy-5-phenyl-phenyl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[(2-methoxy-5-phenyl-benzoyl)amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[(2-methoxy-5-phenylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[(2-methoxy-5-phenylbenzoyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[(2-methoxy-5-phenyl-benzoyl)amino]valeric acid Formula: C29H29N3O8 MolecularWeight: 547.55586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)COC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)COC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C29H29N3O8/c1-39-24-11-9-18(17-5-3-2-4-6-17)13-22(24)28(36)32-21(10-12-26(34)35)16-40-25-15-20(27(30)31)8-7-19(25)14-23(33)29(37)38/h2-9,11,13,15,21H,10,12,14,16H2,1H3,(H3,30,31)(H,32,36)(H,34,35)(H,37,38)