sodium (2S)-1-hexadecanoyl-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: sodium (2S)-1-hexadecanoyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: sodium (2S)-1-hexadecanoyl-5-oxo-pyrrolidine-2-carboxylate CAS Name: sodium (2S)-5-oxo-1-(1-oxohexadecyl)-2-pyrrolidinecarboxylate IUPAC Name: sodium (2S)-1-hexadecanoyl-5-oxopyrrolidine-2-carboxylate Traditional Name: sodium (2S)-1-hexadecanoyl-5-keto-pyrrolidine-2-carboxylate Formula: C21H36NNaO4 MolecularWeight: 389.50461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(CCC1=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCC1=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(25)26)16-17-20(22)24;/h18H,2-17H2,1H3,(H,25,26);/q;+1/p-1/t18-;/m0./s1