[azanyl-[4-[[1-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-oxidanylidene-heptan-3-yl]-prop-2-ynyl-carbamoyl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[4-[[1-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-oxidanylidene-heptan-3-yl]-prop-2-ynyl-carbamoyl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[4-[1-[2-[4-(carboxymethyl)-1-piperidyl]-1,1-dimethyl-2-oxo-ethyl]pentyl-prop-2-ynyl-carbamoyl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[4-[[[1-[4-(carboxymethyl)-1-piperidinyl]-2,2-dimethyl-1-oxoheptan-3-yl]-prop-2-ynylamino]-oxomethyl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[4-[[1-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-oxoheptan-3-yl]-prop-2-ynylcarbamoyl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[4-[1-[2-[4-(carboxymethyl)piperidino]-2-keto-1,1-dimethyl-ethyl]pentyl-propargyl-carbamoyl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C29H39F3N4O6 MolecularWeight: 596.63837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)N(CC#C)C(=O)C2=CC=C(C=C2)C(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)N(CC#C)C(=O)C2=CC=C(C=C2)C(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H38N4O4.C2HF3O2/c1-5-7-8-22(27(3,4)26(35)30-16-13-19(14-17-30)18-23(32)33)31(15-6-2)25(34)21-11-9-20(10-12-21)24(28)29;3-2(4,5)1(6)7/h2,9-12,19,22H,5,7-8,13-18H2,1,3-4H3,(H3,28,29)(H,32,33);(H,6,7)