(E)-2-[2-azanylpropanoyl-(4-methylpentanoylamino)amino]-N-oxidanyl-5-phenyl-2-[2,2,2-tris(fluoranyl)ethyl]pent-4-enamide; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-2-[2-azanylpropanoyl-(4-methylpentanoylamino)amino]-N-oxidanyl-5-phenyl-2-[2,2,2-tris(fluoranyl)ethyl]pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-5-phenyl-2-(2,2,2-trifluoroethyl)pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-[(2-amino-1-oxopropyl)-[(4-methyl-1-oxopentyl)amino]amino]-N-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-N-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)pent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[alanyl-(4-methylpentanoylamino)amino]-5-phenyl-2-(2,2,2-trifluoroethyl)pent-4-enehydroxamic acid; tosylic acid Formula: C29H39F3N4O7S MolecularWeight: 644.70277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C(=O)C(C)N)C(CC=CC1=CC=CC=C1)(CC(F)(F)F)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C(=O)C(C)N)C(C/C=C/C1=CC=CC=C1)(CC(F)(F)F)C(=O)NO

InChI

InChI=1S/C22H31F3N4O4.C7H8O3S/c1-15(2)11-12-18(30)27-29(19(31)16(3)26)21(20(32)28-33,14-22(23,24)25)13-7-10-17-8-5-4-6-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,15-16,33H,11-14,26H2,1-3H3,(H,27,30)(H,28,32);2-5H,1H3,(H,8,9,10)/b10-7+;