(E)-2-(2-azanylpropanoyl)-2-[(4-methylpentanoylamino)-phenyl-amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-2-(2-azanylpropanoyl)-2-[(4-methylpentanoylamino)-phenyl-amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-(2-aminopropanoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-(2-amino-1-oxopropyl)-N-hydroxy-2-(N-[(4-methyl-1-oxopentyl)amino]anilino)-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-(2-aminopropanoyl)-N-hydroxy-2-(N-(4-methylpentanoylamino)anilino)-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-alanyl-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C33H42N4O7S MolecularWeight: 638.77418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C1=CC=CC=C1)C(C/C=C/C2=CC=CC=C2)(C(=O)C(C)N)C(=O)NO

InChI

InChI=1S/C26H34N4O4.C7H8O3S/c1-19(2)16-17-23(31)28-30(22-14-8-5-9-15-22)26(25(33)29-34,24(32)20(3)27)18-10-13-21-11-6-4-7-12-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-15,19-20,34H,16-18,27H2,1-3H3,(H,28,31)(H,29,33);2-5H,1H3,(H,8,9,10)/b13-10+;