2-azanyl-3-[1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-(3-octadecoxy-1-octadecoxycarbonyl-3-oxo-propyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(1,4-dioctadecoxy-1,4-dioxobutan-2-yl)thio]propanoic acid IUPAC Name: 2-amino-3-(1,4-dioctadecoxy-1,4-dioxobutan-2-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(3-keto-3-stearyloxy-1-stearyloxycarbonyl-propyl)thio]propionic acid Formula: C43H83NO6S MolecularWeight: 742.18722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)SCC(C(=O)O)N

InChI

InChI=1S/C43H83NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-41(45)37-40(51-38-39(44)42(46)47)43(48)50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38,44H2,1-2H3,(H,46,47)