[17-hexadecanoyl-18-(hydroxymethyl)-18-oxidanyl-16,19-bis(oxidanylidene)tetratriacontan-17-yl] 2-azanyl-3-sulfanyl-propanoate

Systemtic Name: [17-hexadecanoyl-18-(hydroxymethyl)-18-oxidanyl-16,19-bis(oxidanylidene)tetratriacontan-17-yl] 2-azanyl-3-sulfanyl-propanoate Openeye Name: [1,1-di(hexadecanoyl)-2-hydroxy-2-(hydroxymethyl)-3-oxo-octadecyl] 2-amino-3-sulfanyl-propanoate CAS Name: 2-amino-3-mercaptopropanoic acid [18-hydroxy-18-(hydroxymethyl)-16,19-dioxo-17-(1-oxohexadecyl)tetratriacontan-17-yl] ester IUPAC Name: [17-hexadecanoyl-18-hydroxy-18-(hydroxymethyl)-16,19-dioxotetratriacontan-17-yl] 2-amino-3-sulfanylpropanoate Traditional Name: 2-amino-3-mercapto-propionic acid [1,1-di(hexadecanoyl)-2-hydroxy-3-keto-2-methylol-octadecyl] ester Formula: C54H103NO7S MolecularWeight: 910.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)OC(=O)C(CS)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)OC(=O)C(CS)N)O

InChI

InChI=1S/C54H103NO7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(57)53(61,47-56)54(62-52(60)48(55)46-63,50(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)51(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h48,56,61,63H,4-47,55H2,1-3H3