(2S)-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[[(2S)-2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[(2S)-2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[[(2S)-2-(esylmethyl)-3-(1-naphthyl)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(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC

InChI

InChI=1S/C22H29NO5S/c1-3-5-13-20(22(25)26)23-21(24)18(15-29(27,28)4-2)14-17-11-8-10-16-9-6-7-12-19(16)17/h6-12,18,20H,3-5,13-15H2,1-2H3,(H,23,24)(H,25,26)/t18-,20+/m1/s1