[N'-[(4S)-5-(1,3-benzothiazol-2-yl)-4-[[(2S)-1-ethanoyl-4-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentyl]carbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [N'-[(4S)-5-(1,3-benzothiazol-2-yl)-4-[[(2S)-1-ethanoyl-4-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentyl]carbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [N'-[(4S)-4-[[(2S)-1-acetyl-4-oxo-pyrrolidine-2-carbonyl]amino]-5-(1,3-benzothiazol-2-yl)-5-oxo-pentyl]carbamimidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [[(4S)-4-[[[(2S)-1-acetyl-4-oxo-2-pyrrolidinyl]-oxomethyl]amino]-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]imino-aminomethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [N'-[(4S)-4-[[(2S)-1-acetyl-4-oxopyrrolidine-2-carbonyl]amino]-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]carbamimidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [N'-[(4S)-4-[[(2S)-1-acetyl-4-keto-prolyl]amino]-5-(1,3-benzothiazol-2-yl)-5-keto-pentyl]amidino]ammonium; 2,2,2-trifluoroacetate Formula: C22H25F3N6O6S MolecularWeight: 558.53071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)CC1C(=O)NC(CCCN=C([NH3+])N)C(=O)C2=NC3=CC=CC=C3S2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCCN=C([NH3+])N)C(=O)C2=NC3=CC=CC=C3S2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C20H24N6O4S.C2HF3O2/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19;3-2(4,5)1(6)7/h2-3,5,7,14-15H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23);(H,6,7)/t14-,15-;/m0./s1