2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; [(E)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]prop-2-enoyl] 2-azanyl-3-(4-fluorophenyl)propanoate

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; [(E)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]prop-2-enoyl] 2-azanyl-3-(4-fluorophenyl)propanoate Openeye Name: 2-amino-5-guanidino-pentanoic acid; [(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoyl] 2-amino-3-(4-fluorophenyl)propanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-amino-3-(4-fluorophenyl)propanoic acid [(E)-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl] ester IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; [(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoyl] 2-amino-3-(4-fluorophenyl)propanoate Traditional Name: 2-amino-3-(4-fluorophenyl)propionic acid [(E)-3-(2,3,4,5,6-pentafluorophenyl)acryloyl] ester; 2-amino-5-guanidino-valeric acid Formula: C24H25F6N5O5 MolecularWeight: 577.476219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)OC(=O)C=CC2=C(C(=C(C(=C2F)F)F)F)F)N)F.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)OC(=O)/C=C/C2=C(C(=C(C(=C2F)F)F)F)F)N)F.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C18H11F6NO3.C6H14N4O2/c19-9-3-1-8(2-4-9)7-11(25)18(27)28-12(26)6-5-10-13(20)15(22)17(24)16(23)14(10)21;7-4(5(11)12)2-1-3-10-6(8)9/h1-6,11H,7,25H2;4H,1-3,7H2,(H,11,12)(H4,8,9,10)/b6-5+;