4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyridin-3-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyridin-3-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide Openeye Name: (E)-2-[[isobutyl-[2-(3-pyridyl)acetyl]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-(3-pyridinyl)ethyl]amino]amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(2-pyridin-3-ylacetyl)amino]amino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[[isobutyl-[2-(3-pyridyl)acetyl]amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C35H46N4O7S MolecularWeight: 666.82734

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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)CC2=CN=CC=C2

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)CC2=CN=CC=C2

InChI

InChI=1S/C28H38N4O4.C7H8O3S/c1-21(2)15-16-26(33)32(25(28(35)30-36)14-8-12-23-10-6-5-7-11-23)31(20-22(3)4)27(34)18-24-13-9-17-29-19-24;1-6-2-4-7(5-3-6)11(8,9)10/h5-13,17,19,21-22,25,36H,14-16,18,20H2,1-4H3,(H,30,35);2-5H,1H3,(H,8,9,10)/b12-8+;