(2S)-2-[[3-(3-ethylsulfonylnaphthalen-2-yl)-2-methyl-propanoyl]amino]hexanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)CC1=CC2=CC=CC=C2C=C1S(=O)(=O)CC

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC(=O)C(C)CC1=CC2=CC=CC=C2C=C1S(=O)(=O)CC

InChI

InChI=1S/C22H29NO5S/c1-4-6-11-19(22(25)26)23-21(24)15(3)12-18-13-16-9-7-8-10-17(16)14-20(18)29(27,28)5-2/h7-10,13-15,19H,4-6,11-12H2,1-3H3,(H,23,24)(H,25,26)/t15?,19-/m0/s1