5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[[3-(imidazol-1-ylmethyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[[3-(imidazol-1-ylmethyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[[3-(imidazol-1-ylmethyl)benzoyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[[3-(1-imidazolylmethyl)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[3-(imidazol-1-ylmethyl)benzoyl]amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[[3-(imidazol-1-ylmethyl)benzoyl]amino]valeric acid Formula: C26H27N5O7 MolecularWeight: 521.52188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)NC(CCC(=O)O)COC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)NC(CCC(=O)O)COC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C26H27N5O7/c27-24(28)18-5-4-17(11-21(32)26(36)37)22(12-18)38-14-20(6-7-23(33)34)30-25(35)19-3-1-2-16(10-19)13-31-9-8-29-15-31/h1-5,8-10,12,15,20H,6-7,11,13-14H2,(H3,27,28)(H,30,35)(H,33,34)(H,36,37)