2-[(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(2-naphthyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(2-naphthalenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-4-naphthalen-2-yl-4-oxobutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(2-naphthyl)butanoyl]amino]-3-phenyl-propionic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H23NO5S/c1-16(27)32-22(24(29)20-12-11-18-9-5-6-10-19(18)14-20)15-23(28)26-21(25(30)31)13-17-7-3-2-4-8-17/h2-12,14,21-22H,13,15H2,1H3,(H,26,28)(H,30,31)