2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-[(3-ethyl-4-oxidanylidene-oxetan-2-yl)methyl]icosanoate

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-[(3-ethyl-4-oxidanylidene-oxetan-2-yl)methyl]icosanoate Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-3-[(3-ethyl-4-oxo-oxetan-2-yl)methyl]icosanoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-[(3-ethyl-4-oxo-2-oxetanyl)methyl]eicosanoate IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-3-[(3-ethyl-4-oxooxetan-2-yl)methyl]icosanoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-3-[(3-ethyl-4-keto-oxetan-2-yl)methyl]arachidate Formula: C28H50NO5S- MolecularWeight: 512.7653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC1C(C(=O)O1)CC)C(C(=O)[O-])SCC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC1C(C(=O)O1)CC)C(C(=O)[O-])SCC(=O)N

InChI

InChI=1S/C28H51NO5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-24-23(4-2)28(33)34-24)26(27(31)32)35-21-25(29)30/h22-24,26H,3-21H2,1-2H3,(H2,29,30)(H,31,32)/p-1