2-azanyl-3-ethylsulfonyl-2-(2-methyl-3-naphthalen-1-yl-propanoyl)hexanoic acid

Systemtic Name: 2-azanyl-3-ethylsulfonyl-2-(2-methyl-3-naphthalen-1-yl-propanoyl)hexanoic acid Openeye Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(1-naphthyl)propanoyl]hexanoic acid CAS Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(1-naphthalenyl)-1-oxopropyl]hexanoic acid IUPAC Name: 2-amino-3-ethylsulfonyl-2-(2-methyl-3-naphthalen-1-ylpropanoyl)hexanoic acid Traditional Name: 2-amino-3-esyl-2-[2-methyl-3-(1-naphthyl)propanoyl]hexanoic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)S(=O)(=O)CC

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)S(=O)(=O)CC

InChI

InChI=1S/C22H29NO5S/c1-4-9-19(29(27,28)5-2)22(23,21(25)26)20(24)15(3)14-17-12-8-11-16-10-6-7-13-18(16)17/h6-8,10-13,15,19H,4-5,9,14,23H2,1-3H3,(H,25,26)