2-[[2-azanylpropanoyl(2-methylpropyl)amino]-(3-methylbutanoyl)amino]-N-oxidanyl-5-phenyl-pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[[2-azanylpropanoyl(2-methylpropyl)amino]-(3-methylbutanoyl)amino]-N-oxidanyl-5-phenyl-pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-[[2-aminopropanoyl(isobutyl)amino]-(3-methylbutanoyl)amino]-5-phenyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[[(2-amino-1-oxopropyl)-(2-methylpropyl)amino]-(3-methyl-1-oxobutyl)amino]-N-hydroxy-5-phenylpentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-[[2-aminopropanoyl(2-methylpropyl)amino]-(3-methylbutanoyl)amino]-N-hydroxy-5-phenylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-[[alanyl(isobutyl)amino]-isovaleryl-amino]-5-phenyl-pentanehydroxamic acid; tosylic acid Formula: C30H46N4O7S MolecularWeight: 606.77384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O4.C7H8O3S/c1-16(2)14-21(28)27(26(15-17(3)4)23(30)18(5)24)20(22(29)25-31)13-9-12-19-10-7-6-8-11-19;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,10-11,16-18,20,31H,9,12-15,24H2,1-5H3,(H,25,29);2-5H,1H3,(H,8,9,10)