5-cyclohexyl-2-[4-methylpentanoyl-[(phenylmethyl)-(2-pyridin-3-ylethanoyl)amino]amino]-N-oxidanyl-pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 5-cyclohexyl-2-[4-methylpentanoyl-[(phenylmethyl)-(2-pyridin-3-ylethanoyl)amino]amino]-N-oxidanyl-pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-[[benzyl-[2-(3-pyridyl)acetyl]amino]-(4-methylpentanoyl)amino]-5-cyclohexyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: 5-cyclohexyl-N-hydroxy-2-[(4-methyl-1-oxopentyl)-[[1-oxo-2-(3-pyridinyl)ethyl]-(phenylmethyl)amino]amino]pentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-[[benzyl-(2-pyridin-3-ylacetyl)amino]-(4-methylpentanoyl)amino]-5-cyclohexyl-N-hydroxypentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-[[benzyl-[2-(3-pyridyl)acetyl]amino]-(4-methylpentanoyl)amino]-5-cyclohexyl-pentanehydroxamic acid; tosylic acid Formula: C38H52N4O7S MolecularWeight: 708.90708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CCCC1CCCCC1)C(=O)NO)N(CC2=CC=CC=C2)C(=O)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CCCC1CCCCC1)C(=O)NO)N(CC2=CC=CC=C2)C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C31H44N4O4.C7H8O3S/c1-24(2)18-19-29(36)35(28(31(38)33-39)17-9-15-25-11-5-3-6-12-25)34(23-26-13-7-4-8-14-26)30(37)21-27-16-10-20-32-22-27;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8,10,13-14,16,20,22,24-25,28,39H,3,5-6,9,11-12,15,17-19,21,23H2,1-2H3,(H,33,38);2-5H,1H3,(H,8,9,10)