4-[[3-(4-methylsulfonyloxyphenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(4-methylsulfonyloxyphenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[(4-methylsulfonyloxyphenyl)methyl]-2-oxo-2-(pentylamino)ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(4-methylsulfonyloxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(4-methylsulfonyloxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(amylamino)-2-keto-1-(4-methylsulfonyloxybenzyl)ethyl]amino]-4-keto-butyric acid Formula: C19H28N2O7S MolecularWeight: 428.49982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H28N2O7S/c1-3-4-5-12-20-19(25)16(21-17(22)10-11-18(23)24)13-14-6-8-15(9-7-14)28-29(2,26)27/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)