(7E,9E)-5-oxidanyl-6-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]icosa-7,9-dien-11,14-diynoic acid

Systemtic Name: (7E,9E)-5-oxidanyl-6-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]icosa-7,9-dien-11,14-diynoic acid Openeye Name: (7E,9E)-5-hydroxy-6-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]icosa-7,9-dien-11,14-diynoic acid CAS Name: (7E,9E)-5-hydroxy-6-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]eicosa-7,9-dien-11,14-diynoic acid IUPAC Name: (7E,9E)-5-hydroxy-6-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]icosa-7,9-dien-11,14-diynoic acid Traditional Name: (7E,9E)-5-hydroxy-6-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]eicosa-7,9-dien-11,14-diynoic acid Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC#CC=CC=CC(C(CCCC(=O)O)O)NC(CS)C(=O)O

Isomeric SMILES

CCCCCC#CCC#C/C=C/C=C/C(C(CCCC(=O)O)O)NC(CS)C(=O)O

InChI

InChI=1S/C23H33NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(24-20(18-30)23(28)29)21(25)16-14-17-22(26)27/h11-13,15,19-21,24-25,30H,2-5,8,14,16-18H2,1H3,(H,26,27)(H,28,29)/b12-11+,15-13+