2-(hexadecanoylamino)-3-[[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-(hexadecanoylamino)-3-[[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]methylsulfanyl]propanoic acid Openeye Name: 2-(hexadecanoylamino)-3-[(4-methyl-2,5-dioxo-3-furyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-methyl-2,5-dioxo-3-furanyl)methylthio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: 2-(hexadecanoylamino)-3-[(4-methyl-2,5-dioxofuran-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2,5-diketo-4-methyl-3-furyl)methylthio]-2-palmitamido-propionic acid Formula: C25H41NO6S MolecularWeight: 483.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSCC1=C(C(=O)OC1=O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSCC1=C(C(=O)OC1=O)C)C(=O)O

InChI

InChI=1S/C25H41NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)26-21(23(28)29)18-33-17-20-19(2)24(30)32-25(20)31/h21H,3-18H2,1-2H3,(H,26,27)(H,28,29)