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

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrolidin-2-yl)carbonyl-amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide Openeye Name: (E)-2-[[isobutyl-(1-methylpyrrolidine-2-carbonyl)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-methyl-2-pyrrolidinyl)-oxomethyl]amino]amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrolidine-2-carbonyl)amino]amino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[[hygroyl(isobutyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C34H50N4O7S MolecularWeight: 658.8484

Click to see the large picture

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)C2CCCN2C

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)C2CCCN2C

InChI

InChI=1S/C27H42N4O4.C7H8O3S/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)24-15-10-18-29(24)5)23(26(33)28-35)14-9-13-22-11-7-6-8-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,11-13,20-21,23-24,35H,10,14-19H2,1-5H3,(H,28,33);2-5H,1H3,(H,8,9,10)/b13-9+;