4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoic acid

Systemtic Name: 4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoic acid Openeye Name: 4-[(3-hydroxy-4-methyl-4-phenylsulfanyl-pentanoyl)amino]-4-methyl-pentanoic acid CAS Name: 4-[[3-hydroxy-4-methyl-1-oxo-4-(phenylthio)pentyl]amino]-4-methylpentanoic acid IUPAC Name: 4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoic acid Traditional Name: 4-[[3-hydroxy-4-methyl-4-(phenylthio)pentanoyl]amino]-4-methyl-valeric acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)O)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(CCC(=O)O)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

InChI

InChI=1S/C18H27NO4S/c1-17(2,11-10-16(22)23)19-15(21)12-14(20)18(3,4)24-13-8-6-5-7-9-13/h5-9,14,20H,10-12H2,1-4H3,(H,19,21)(H,22,23)