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

Systemtic Name: 4-[[4-[bis(azanyl)methylideneamino]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-guanidinobenzoyl)amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[4-(diaminomethylideneamino)benzoyl]amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[(4-guanidinobenzoyl)amino]valeric acid Formula: C23H26N6O7 MolecularWeight: 498.48854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O)N=C(N)N

InChI

InChI=1S/C23H26N6O7/c24-20(25)14-2-1-13(9-17(30)22(34)35)18(10-14)36-11-16(7-8-19(31)32)28-21(33)12-3-5-15(6-4-12)29-23(26)27/h1-6,10,16H,7-9,11H2,(H3,24,25)(H,28,33)(H,31,32)(H,34,35)(H4,26,27,29)