4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyrazol-1-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyrazol-1-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide Openeye Name: (E)-2-[[isobutyl-(2-pyrazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-N-hydroxy-2-[(4-methyl-1-oxopentyl)-[2-methylpropyl-[1-oxo-2-(1-pyrazolyl)ethyl]amino]amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(2-pyrazol-1-ylacetyl)amino]amino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[[isobutyl-(2-pyrazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C33H45N5O7S MolecularWeight: 655.8047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)NO)N(CC(C)C)C(=O)CN2C=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)NO)N(CC(C)C)C(=O)CN2C=CC=N2

InChI

InChI=1S/C26H37N5O4.C7H8O3S/c1-20(2)14-15-24(32)31(30(18-21(3)4)25(33)19-29-17-9-16-27-29)23(26(34)28-35)13-8-12-22-10-6-5-7-11-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-12,16-17,20-21,23,35H,13-15,18-19H2,1-4H3,(H,28,34);2-5H,1H3,(H,8,9,10)/b12-8+;