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

Systemtic Name: (E)-2-[2-azanylpropanoyl-(4-methylpentanoylamino)amino]-2-cyclopentyl-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-2-cyclopentyl-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-[(2-amino-1-oxopropyl)-[(4-methyl-1-oxopentyl)amino]amino]-2-cyclopentyl-N-hydroxy-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-2-cyclopentyl-N-hydroxy-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[alanyl-(4-methylpentanoylamino)amino]-2-cyclopentyl-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C32H46N4O7S MolecularWeight: 630.79524

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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)C(C)N)C(CC=CC1=CC=CC=C1)(C2CCCC2)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C(=O)C(C)N)C(C/C=C/C1=CC=CC=C1)(C2CCCC2)C(=O)NO

InChI

InChI=1S/C25H38N4O4.C7H8O3S/c1-18(2)15-16-22(30)27-29(23(31)19(3)26)25(24(32)28-33,21-13-7-8-14-21)17-9-12-20-10-5-4-6-11-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,9-12,18-19,21,33H,7-8,13-17,26H2,1-3H3,(H,27,30)(H,28,32);2-5H,1H3,(H,8,9,10)/b12-9+;