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

Systemtic Name: (E)-2-(2-azanylpropanoyl)-2-[2,2-dimethylpropyl-(4-methylpentanoylamino)amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-(2-aminopropanoyl)-2-[2,2-dimethylpropyl-(4-methylpentanoylamino)amino]-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-(2-amino-1-oxopropyl)-2-[2,2-dimethylpropyl-[(4-methyl-1-oxopentyl)amino]amino]-N-hydroxy-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-(2-aminopropanoyl)-2-[2,2-dimethylpropyl-(4-methylpentanoylamino)amino]-N-hydroxy-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-alanyl-2-[(4-methylpentanoylamino)-neopentyl-amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C32H48N4O7S MolecularWeight: 632.81112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O4.C7H8O3S/c1-18(2)14-15-21(30)27-29(17-24(4,5)6)25(23(32)28-33,22(31)19(3)26)16-10-13-20-11-8-7-9-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h7-13,18-19,33H,14-17,26H2,1-6H3,(H,27,30)(H,28,32);2-5H,1H3,(H,8,9,10)/b13-10+;