6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylicos-7-ynoic acid

Systemtic Name: 6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylicos-7-ynoic acid Openeye Name: 6-(2-amino-3-hydroxy-3-oxo-propyl)sulfanylicos-7-ynoic acid CAS Name: 6-[(2-amino-3-hydroxy-3-oxopropyl)thio]-7-eicosynoic acid IUPAC Name: 6-(2-amino-3-hydroxy-3-oxopropyl)sulfanylicos-7-ynoic acid Traditional Name: 6-[(2-amino-3-hydroxy-3-keto-propyl)thio]eicos-7-ynoic acid Formula: C23H41NO4S MolecularWeight: 427.64094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20(17-14-15-18-22(25)26)29-19-21(24)23(27)28/h20-21H,2-12,14-15,17-19,24H2,1H3,(H,25,26)(H,27,28)