2-[2-azanylpropanoyl-(4-methylpentanoylamino)amino]-4-ethyl-N-oxidanyl-2-[(E)-3-phenylprop-2-enyl]hexanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[2-azanylpropanoyl-(4-methylpentanoylamino)amino]-4-ethyl-N-oxidanyl-2-[(E)-3-phenylprop-2-enyl]hexanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-2-[(E)-cinnamyl]-4-ethyl-hexanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[(2-amino-1-oxopropyl)-[(4-methyl-1-oxopentyl)amino]amino]-4-ethyl-N-hydroxy-2-[(E)-3-phenylprop-2-enyl]hexanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-[2-aminopropanoyl-(4-methylpentanoylamino)amino]-4-ethyl-N-hydroxy-2-[(E)-3-phenylprop-2-enyl]hexanamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[alanyl-(4-methylpentanoylamino)amino]-2-(2-ethylbutyl)-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C33H50N4O7S MolecularWeight: 646.8377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O4.C7H8O3S/c1-6-21(7-2)18-26(25(33)29-34,17-11-14-22-12-9-8-10-13-22)30(24(32)20(5)27)28-23(31)16-15-19(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h8-14,19-21,34H,6-7,15-18,27H2,1-5H3,(H,28,31)(H,29,33);2-5H,1H3,(H,8,9,10)/b14-11+;