(phenylmethyl) (2R)-5-[[N,N'-bis[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2R)-5-[[N,N'-bis[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2R)-2-(benzyloxycarbonylamino)-5-[[N,N'-bis(2,2,2-trifluoroethyl)carbamimidoyl]amino]pentanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)-5-[[(2,2,2-trifluoroethylamino)-(2,2,2-trifluoroethylimino)methyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-5-[[N,N'-bis(2,2,2-trifluoroethyl)carbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-5-[[N,N'-bis(2,2,2-trifluoroethyl)amidino]amino]valeric acid benzyl ester Formula: C25H28F6N4O4 MolecularWeight: 562.504639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCNC(=NCC(F)(F)F)NCC(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CCCNC(=NCC(F)(F)F)NCC(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H28F6N4O4/c26-24(27,28)16-33-22(34-17-25(29,30)31)32-13-7-12-20(21(36)38-14-18-8-3-1-4-9-18)35-23(37)39-15-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,35,37)(H2,32,33,34)/t20-/m1/s1