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

Systemtic Name: 2-[[4-azanylbutanoyl-(phenylmethyl)amino]-(4-methylpentanoyl)amino]-N-oxidanyl-5-phenyl-pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-[[4-aminobutanoyl(benzyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[[(4-amino-1-oxobutyl)-(phenylmethyl)amino]-(4-methyl-1-oxopentyl)amino]-N-hydroxy-5-phenylpentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-[[4-aminobutanoyl(benzyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-[[4-aminobutanoyl(benzyl)amino]-(4-methylpentanoyl)amino]-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)N(C(CCCC1=CC=CC=C1)C(=O)NO)N(CC2=CC=CC=C2)C(=O)CCCN

Isomeric SMILES

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

InChI

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