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

Systemtic Name: 4-[[4-[carbamimidoyl(methyl)amino]phenyl]carbonylamino]-5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[[4-[carbamimidoyl(methyl)amino]benzoyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[[4-[carbamimidoyl(methyl)amino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[4-[carbamimidoyl(methyl)amino]benzoyl]amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[[4-[amidino(methyl)amino]benzoyl]amino]valeric acid Formula: C24H28N6O7 MolecularWeight: 512.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O7/c1-30(24(27)28)17-7-4-13(5-8-17)22(34)29-16(6-9-20(32)33)12-37-19-11-15(21(25)26)3-2-14(19)10-18(31)23(35)36/h2-5,7-8,11,16H,6,9-10,12H2,1H3,(H3,25,26)(H3,27,28)(H,29,34)(H,32,33)(H,35,36)