2-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O)O

InChI

InChI=1S/C17H21NO4S/c1-17(2,22)10-8-12-4-6-13(7-5-12)15(19)18-14(16(20)21)9-11-23-3/h4-7,14,22H,9,11H2,1-3H3,(H,18,19)(H,20,21)