(phenylmethyl) (2S)-2-[[3-(3-aminocarbonylpyridin-1-ium-1-yl)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(3-aminocarbonylpyridin-1-ium-1-yl)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: benzyl (2S)-2-[[1-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate; 2,2,2-trifluoroacetate CAS Name: (2S)-2-[[[3-(3-carbamoyl-1-pyridin-1-iumyl)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-oxomethyl]-5-oxo-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; 2,2,2-trifluoroacetate IUPAC Name: benzyl (2S)-2-[[3-(3-carbamoylpyridin-1-ium-1-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (2S)-2-[[1-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-ethyl]carbamoyl]-5-keto-pyrrolidine-1-carboxylic acid benzyl ester; 2,2,2-trifluoroacetate Formula: C29H31F3N6O9 MolecularWeight: 664.58645

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C[N+]2=CC=CC(=C2)C(=O)N)NC(=O)C3CCC(=O)N3C(=O)OCC4=CC=CC=C4)C(=O)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(C[N+]2=CC=CC(=C2)C(=O)N)NC(=O)[C@@H]3CCC(=O)N3C(=O)OCC4=CC=CC=C4)C(=O)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H30N6O7.C2HF3O2/c28-23(35)18-8-4-12-31(14-18)15-19(26(38)32-13-5-9-20(32)24(29)36)30-25(37)21-10-11-22(34)33(21)27(39)40-16-17-6-2-1-3-7-17;3-2(4,5)1(6)7/h1-4,6-8,12,14,19-21H,5,9-11,13,15-16H2,(H4-,28,29,30,35,36,37);(H,6,7)/t19?,20-,21-;/m0./s1