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

Systemtic Name: (E)-2-(2-azanylpropanoyl)-2-[(4-methylpentanoylamino)-propyl-amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-(2-aminopropanoyl)-2-[(4-methylpentanoylamino)-propyl-amino]-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-(2-amino-1-oxopropyl)-N-hydroxy-2-[[(4-methyl-1-oxopentyl)amino]-propylamino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-(2-aminopropanoyl)-N-hydroxy-2-[(4-methylpentanoylamino)-propylamino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-alanyl-2-[(4-methylpentanoylamino)-propyl-amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C30H44N4O7S MolecularWeight: 604.75796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O4.C7H8O3S/c1-5-16-27(25-20(28)14-13-17(2)3)23(22(30)26-31,21(29)18(4)24)15-9-12-19-10-7-6-8-11-19;1-6-2-4-7(5-3-6)11(8,9)10/h6-12,17-18,31H,5,13-16,24H2,1-4H3,(H,25,28)(H,26,30);2-5H,1H3,(H,8,9,10)/b12-9+;