4-methylbenzenesulfonic acid; 2-[4-methylpentanoyl-(2-methylpropylamino)amino]-N-oxidanyl-5-phenyl-pentanamide

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[4-methylpentanoyl-(2-methylpropylamino)amino]-N-oxidanyl-5-phenyl-pentanamide Openeye Name: 2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: N-hydroxy-2-[(4-methyl-1-oxopentyl)-(2-methylpropylamino)amino]-5-phenylpentanamide; 4-methylbenzenesulfonic acid IUPAC Name: N-hydroxy-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-phenylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pentanehydroxamic acid; tosylic acid Formula: C28H43N3O6S MolecularWeight: 549.72252

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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(CCCC1=CC=CC=C1)C(=O)NO)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)NO)NCC(C)C

InChI

InChI=1S/C21H35N3O3.C7H8O3S/c1-16(2)13-14-20(25)24(22-15-17(3)4)19(21(26)23-27)12-8-11-18-9-6-5-7-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,9-10,16-17,19,22,27H,8,11-15H2,1-4H3,(H,23,26);2-5H,1H3,(H,8,9,10)