1-[[(2S)-2-[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]cyclohexane-1-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-[[(2S)-2-[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]cyclohexane-1-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-[[(2S)-2-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]cyclohexanecarboxylic acid; 2,2,2-trifluoroacetate CAS Name: 1-[[(2S)-2-[[2-[ethyl-[1-oxo-4-(4-piperidin-1-iumyl)butyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-cyclohexanecarboxylic acid; 2,2,2-trifluoroacetate IUPAC Name: 1-[[(2S)-2-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]cyclohexane-1-carboxylic acid; 2,2,2-trifluoroacetate Traditional Name: 1-[[(2S)-2-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]cyclohexanecarboxylic acid; 2,2,2-trifluoroacetate Formula: C26H41F3N4O9 MolecularWeight: 610.62035

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)NC1(CCCCC1)C(=O)O)C(=O)CCCC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)NC1(CCCCC1)C(=O)O)C(=O)CCCC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C24H40N4O7.C2HF3O2/c1-2-28(20(30)8-6-7-17-9-13-25-14-10-17)16-19(29)26-18(15-21(31)32)22(33)27-24(23(34)35)11-4-3-5-12-24;3-2(4,5)1(6)7/h17-18,25H,2-16H2,1H3,(H,26,29)(H,27,33)(H,31,32)(H,34,35);(H,6,7)/t18-;/m0./s1