6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-5-oxidanyl-icos-7-ynoic acid

Systemtic Name: 6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-5-oxidanyl-icos-7-ynoic acid Openeye Name: 6-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-5-hydroxy-icos-7-ynoic acid CAS Name: 6-[(2-amino-3-hydroxy-3-oxopropyl)thio]-5-hydroxy-7-eicosynoic acid IUPAC Name: 6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-5-hydroxyicos-7-ynoic acid Traditional Name: 6-[(2-amino-3-hydroxy-3-keto-propyl)thio]-5-hydroxy-eicos-7-ynoic acid Formula: C23H41NO5S MolecularWeight: 443.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC#CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

InChI

InChI=1S/C23H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h19-21,25H,2-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)