(3S)-4-[[(2S)-3-cycloheptyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (3S)-4-[[(2S)-3-cycloheptyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (3S)-4-[[(1S)-1-(cycloheptylmethyl)-2-hydroxy-2-oxo-ethyl]amino]-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-oxo-butanoic acid; 2,2,2-trifluoroacetate CAS Name: (3S)-4-[[(2S)-3-cycloheptyl-1-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[ethyl-[1-oxo-4-(4-piperidin-1-iumyl)butyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetate IUPAC Name: (3S)-4-[[(2S)-3-cycloheptyl-1-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetate Traditional Name: (3S)-4-[[(1S)-1-(cycloheptylmethyl)-2-hydroxy-2-keto-ethyl]amino]-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-keto-butyric acid; 2,2,2-trifluoroacetate Formula: C29H47F3N4O9 MolecularWeight: 652.70009

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)NC(CC1CCCCCC1)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)N[C@@H](CC1CCCCCC1)C(=O)O)C(=O)CCCC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H46N4O7.C2HF3O2/c1-2-31(24(33)11-7-10-19-12-14-28-15-13-19)18-23(32)29-21(17-25(34)35)26(36)30-22(27(37)38)16-20-8-5-3-4-6-9-20;3-2(4,5)1(6)7/h19-22,28H,2-18H2,1H3,(H,29,32)(H,30,36)(H,34,35)(H,37,38);(H,6,7)/t21-,22-;/m0./s1