(diphenylmethyl) 5-[bis(azanyl)methylideneamino]-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate

Systemtic Name: (diphenylmethyl) 5-[bis(azanyl)methylideneamino]-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate Openeye Name: benzhydryl 5-guanidino-2-[(2,2,2-trifluoroacetyl)amino]pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 5-(diaminomethylideneamino)-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Traditional Name: 5-guanidino-2-[(2,2,2-trifluoroacetyl)amino]valeric acid benzhydryl ester Formula: C21H23F3N4O3 MolecularWeight: 436.42753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CCCN=C(N)N)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CCCN=C(N)N)NC(=O)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3/c22-21(23,24)19(30)28-16(12-7-13-27-20(25)26)18(29)31-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,28,30)(H4,25,26,27)