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

Systemtic Name: 4-acetyloxy-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]butanoic acid Openeye Name: 4-acetoxy-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]butanoic acid CAS Name: 4-acetyloxy-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-acetyloxy-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]butanoic acid Traditional Name: 4-acetoxy-2-[[2-(esylmethyl)-3-(1-naphthyl)propanoyl]amino]butyric acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-3-31(28,29)14-18(13-17-9-6-8-16-7-4-5-10-19(16)17)21(25)23-20(22(26)27)11-12-30-15(2)24/h4-10,18,20H,3,11-14H2,1-2H3,(H,23,25)(H,26,27)