2-[(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(2-naphthyl)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(2-naphthalenyl)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-4-naphthalen-2-yl-4-oxobutanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(2-naphthyl)butanoyl]amino]-3-methyl-butyric acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC(C(=O)C1=CC2=CC=CC=C2C=C1)SC(=O)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC(C(=O)C1=CC2=CC=CC=C2C=C1)SC(=O)C

InChI

InChI=1S/C21H23NO5S/c1-12(2)19(21(26)27)22-18(24)11-17(28-13(3)23)20(25)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,19H,11H2,1-3H3,(H,22,24)(H,26,27)