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

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[[3-(4-ethanoylphenyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-[[3-(4-acetylphenyl)benzoyl]amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]pentanoic acid CAS Name: 4-[[[3-(4-acetylphenyl)phenyl]-oxomethyl]amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]pentanoic acid IUPAC Name: 4-[[3-(4-acetylphenyl)benzoyl]amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]pentanoic acid Traditional Name: 4-[[3-(4-acetylphenyl)benzoyl]amino]-5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]valeric acid Formula: C30H29N3O8 MolecularWeight: 559.56656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=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

CC(=O)C1=CC=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/C30H29N3O8/c1-17(34)18-5-7-19(8-6-18)20-3-2-4-23(13-20)29(38)33-24(11-12-27(36)37)16-41-26-15-22(28(31)32)10-9-21(26)14-25(35)30(39)40/h2-10,13,15,24H,11-12,14,16H2,1H3,(H3,31,32)(H,33,38)(H,36,37)(H,39,40)