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

Systemtic Name: (3S)-3-[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]ethanoylamino]-4-[[(2S)-3-naphthalen-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (3S)-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-[[(1S)-2-hydroxy-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid; 2,2,2-trifluoroacetate CAS Name: (3S)-3-[[2-[ethyl-[1-oxo-4-(4-piperidin-1-iumyl)butyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-hydroxy-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetate IUPAC Name: (3S)-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-[[(2S)-1-hydroxy-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetate Traditional Name: (3S)-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-[[(1S)-2-hydroxy-2-keto-1-(1-naphthylmethyl)ethyl]amino]-4-keto-butyric acid; 2,2,2-trifluoroacetate Formula: C32H41F3N4O9 MolecularWeight: 682.68455

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)O)C(=O)CCCC3CC[NH2+]CC3.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)O)C(=O)CCCC3CC[NH2+]CC3.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C30H40N4O7.C2HF3O2/c1-2-34(27(36)12-5-7-20-13-15-31-16-14-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-22-10-6-9-21-8-3-4-11-23(21)22;3-2(4,5)1(6)7/h3-4,6,8-11,20,24-25,31H,2,5,7,12-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41);(H,6,7)/t24-,25-;/m0./s1