2-azanyl-3-ethylsulfonyl-2-[2-methyl-3-(2-methylphenyl)propanoyl]hexanoic acid

Systemtic Name: 2-azanyl-3-ethylsulfonyl-2-[2-methyl-3-(2-methylphenyl)propanoyl]hexanoic acid Openeye Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(o-tolyl)propanoyl]hexanoic acid CAS Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(2-methylphenyl)-1-oxopropyl]hexanoic acid IUPAC Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(2-methylphenyl)propanoyl]hexanoic acid Traditional Name: 2-amino-3-esyl-2-[2-methyl-3-(o-tolyl)propanoyl]hexanoic acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC=C1C)(C(=O)O)N)S(=O)(=O)CC

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC=C1C)(C(=O)O)N)S(=O)(=O)CC

InChI

InChI=1S/C19H29NO5S/c1-5-9-16(26(24,25)6-2)19(20,18(22)23)17(21)14(4)12-15-11-8-7-10-13(15)3/h7-8,10-11,14,16H,5-6,9,12,20H2,1-4H3,(H,22,23)