(2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(esylmethyl)-3-(1-naphthyl)propanoyl]amino]-4-(methylthio)butyric acid Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C21H27NO5S2/c1-3-29(26,27)14-17(20(23)22-19(21(24)25)11-12-28-2)13-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,17,19H,3,11-14H2,1-2H3,(H,22,23)(H,24,25)/t17?,19-/m0/s1