(2R,5R)-2-butyl-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid

Systemtic Name: (2R,5R)-2-butyl-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid Openeye Name: (2R,5R)-2-butyl-5-hydroxy-6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-hexanoic acid CAS Name: (2R,5R)-2-butyl-5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]hexanoic acid IUPAC Name: (2R,5R)-2-butyl-5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanylhexanoic acid Traditional Name: (2R,5R)-2-butyl-5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]hexanoic acid Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CSC1=CC=CC(=C1)NC(=O)CC(=O)O)O)C(=O)O

Isomeric SMILES

CCCC[C@H](CC[C@H](CSC1=CC=CC(=C1)NC(=O)CC(=O)O)O)C(=O)O

InChI

InChI=1S/C19H27NO6S/c1-2-3-5-13(19(25)26)8-9-15(21)12-27-16-7-4-6-14(10-16)20-17(22)11-18(23)24/h4,6-7,10,13,15,21H,2-3,5,8-9,11-12H2,1H3,(H,20,22)(H,23,24)(H,25,26)/t13-,15-/m1/s1