bis(azanyl)methylidene-[4-[3-[(2S,5S)-5-(2-methoxy-2-oxidanylidene-ethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]propylcarbamoyl]phenyl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(azanyl)methylidene-[4-[3-[(2S,5S)-5-(2-methoxy-2-oxidanylidene-ethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]propylcarbamoyl]phenyl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: diaminomethylene-[4-[3-[(2S,5S)-5-(2-methoxy-2-oxo-ethyl)-3,6-dioxo-piperazin-2-yl]propylcarbamoyl]phenyl]ammonium; trifluoromethanesulfonate CAS Name: diaminomethylidene-[4-[[3-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-2-piperazinyl]propylamino]-oxomethyl]phenyl]ammonium; trifluoromethanesulfonate IUPAC Name: diaminomethylidene-[4-[3-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxopiperazin-2-yl]propylcarbamoyl]phenyl]azanium; trifluoromethanesulfonate Traditional Name: diaminomethylene-[4-[3-[(2S,5S)-3,6-diketo-5-(2-keto-2-methoxy-ethyl)piperazin-2-yl]propylcarbamoyl]phenyl]ammonium triflate Formula: C19H25F3N6O8S MolecularWeight: 554.49741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NC(C(=O)N1)CCCNC(=O)C2=CC=C(C=C2)[NH+]=C(N)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C[C@H]1C(=O)N[C@H](C(=O)N1)CCCNC(=O)C2=CC=C(C=C2)[NH+]=C(N)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H24N6O5.CHF3O3S/c1-29-14(25)9-13-17(28)23-12(16(27)24-13)3-2-8-21-15(26)10-4-6-11(7-5-10)22-18(19)20;2-1(3,4)8(5,6)7/h4-7,12-13H,2-3,8-9H2,1H3,(H,21,26)(H,23,28)(H,24,27)(H4,19,20,22);(H,5,6,7)/t12-,13-;/m0./s1