4-(butylamino)-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(butylamino)-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(butylamino)-2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-(butylamino)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(butylamino)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-(butylamino)-4-keto-2-[[2-[methyl(tosyl)amino]acetyl]amino]butyric acid Formula: C18H27N3O6S MolecularWeight: 413.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(C(=O)O)NC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCNC(=O)CC(C(=O)O)NC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H27N3O6S/c1-4-5-10-19-16(22)11-15(18(24)25)20-17(23)12-21(3)28(26,27)14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)