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

Systemtic Name: 6-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)sulfanylicos-7-ynoic acid Openeye Name: 6-(2-amino-3-methoxy-3-oxo-propyl)sulfanylicos-7-ynoic acid CAS Name: 6-[(2-amino-3-methoxy-3-oxopropyl)thio]-7-eicosynoic acid IUPAC Name: 6-(2-amino-3-methoxy-3-oxopropyl)sulfanylicos-7-ynoic acid Traditional Name: 6-[(2-amino-3-keto-3-methoxy-propyl)thio]eicos-7-ynoic acid Formula: C24H43NO4S MolecularWeight: 441.66752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21(18-15-16-19-23(26)27)30-20-22(25)24(28)29-2/h21-22H,3-13,15-16,18-20,25H2,1-2H3,(H,26,27)