(3S)-4-[[(2S)-1-azanyl-3-cyclohexyl-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)-1-azanyl-3-cyclohexyl-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)-2-amino-1-(cyclohexylmethyl)-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)-1-amino-3-cyclohexyl-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)-1-amino-3-cyclohexyl-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)-2-amino-1-(cyclohexylmethyl)-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: C28H46F3N5O8 MolecularWeight: 637.68875

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)NC(CC1CCCCC1)C(=O)N)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](CC1CCCCC1)C(=O)N)C(=O)CCCC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C26H45N5O6.C2HF3O2/c1-2-31(23(33)10-6-9-18-11-13-28-14-12-18)17-22(32)29-21(16-24(34)35)26(37)30-20(25(27)36)15-19-7-4-3-5-8-19;3-2(4,5)1(6)7/h18-21,28H,2-17H2,1H3,(H2,27,36)(H,29,32)(H,30,37)(H,34,35);(H,6,7)/t20-,21-;/m0./s1