1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 3-(3-azanyl-3-oxidanylidene-propyl)sulfanylpropanoate

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 3-(3-azanyl-3-oxidanylidene-propyl)sulfanylpropanoate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 3-(3-amino-3-oxo-propyl)sulfanylpropanoate CAS Name: 3-[(3-amino-3-oxopropyl)thio]propanoic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 3-(3-amino-3-oxopropyl)sulfanylpropanoate Traditional Name: 3-[(3-amino-3-keto-propyl)thio]propionic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C28H51NO5S MolecularWeight: 513.77324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCSCCC(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCSCCC(=O)N

InChI

InChI=1S/C28H51NO5S/c1-3-5-7-9-10-11-12-13-14-16-23(33-27(31)19-21-35-20-18-26(29)30)22-25-28(32)24(34-25)17-15-8-6-4-2/h23-25H,3-22H2,1-2H3,(H2,29,30)