2-[4-azanylbutanoyl-(4-methylpentanoylamino)amino]-N-oxidanyl-5-phenyl-2-(phenylmethyl)pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[4-azanylbutanoyl-(4-methylpentanoylamino)amino]-N-oxidanyl-5-phenyl-2-(phenylmethyl)pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-[4-aminobutanoyl-(4-methylpentanoylamino)amino]-2-benzyl-5-phenyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[(4-amino-1-oxobutyl)-[(4-methyl-1-oxopentyl)amino]amino]-N-hydroxy-5-phenyl-2-(phenylmethyl)pentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-[4-aminobutanoyl-(4-methylpentanoylamino)amino]-2-benzyl-N-hydroxy-5-phenylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-[4-aminobutanoyl-(4-methylpentanoylamino)amino]-2-benzyl-5-phenyl-pentanehydroxamic acid; tosylic acid Formula: C35H48N4O7S MolecularWeight: 668.84322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C(=O)CCCN)C(CCCC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C(=O)CCCN)C(CCCC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)NO

InChI

InChI=1S/C28H40N4O4.C7H8O3S/c1-22(2)17-18-25(33)30-32(26(34)16-10-20-29)28(27(35)31-36,21-24-13-7-4-8-14-24)19-9-15-23-11-5-3-6-12-23;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,11-14,22,36H,9-10,15-21,29H2,1-2H3,(H,30,33)(H,31,35);2-5H,1H3,(H,8,9,10)