5-[2-[3-[bis(azanyl)methylideneamino]phenyl]carbonylhydrazinyl]-3-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-[3-[bis(azanyl)methylideneamino]phenyl]carbonylhydrazinyl]-3-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 3-[(4-fluorobenzoyl)amino]-5-[2-(3-guanidinobenzoyl)hydrazino]-5-oxo-pentanoic acid CAS Name: 5-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]hydrazo]-3-[[(4-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[2-[3-(diaminomethylideneamino)benzoyl]hydrazinyl]-3-[(4-fluorobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 3-[(4-fluorobenzoyl)amino]-5-[N'-(3-guanidinobenzoyl)hydrazino]-5-keto-valeric acid Formula: C20H21FN6O5 MolecularWeight: 444.416343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C(N)N)C(=O)NNC(=O)CC(CC(=O)O)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)N=C(N)N)C(=O)NNC(=O)CC(CC(=O)O)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN6O5/c21-13-6-4-11(5-7-13)18(31)24-15(10-17(29)30)9-16(28)26-27-19(32)12-2-1-3-14(8-12)25-20(22)23/h1-8,15H,9-10H2,(H,24,31)(H,26,28)(H,27,32)(H,29,30)(H4,22,23,25)