[3-[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]oxy-2-oxidanyl-propyl] dodecanoate

Systemtic Name: [3-[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]oxy-2-oxidanyl-propyl] dodecanoate Openeye Name: [3-[(2S)-2-acetamido-5-amino-5-oxo-pentanoyl]oxy-2-hydroxy-propyl] dodecanoate CAS Name: dodecanoic acid [3-[(2S)-2-acetamido-5-amino-1,5-dioxopentoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-acetamido-5-amino-5-oxopentanoyl]oxy-2-hydroxypropyl] dodecanoate Traditional Name: lauric acid [3-[(2S)-2-acetamido-5-amino-5-keto-pentanoyl]oxy-2-hydroxy-propyl] ester Formula: C22H40N2O7 MolecularWeight: 444.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)C(CCC(=O)N)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CCC(=O)N)NC(=O)C)O

InChI

InChI=1S/C22H40N2O7/c1-3-4-5-6-7-8-9-10-11-12-21(28)30-15-18(26)16-31-22(29)19(24-17(2)25)13-14-20(23)27/h18-19,26H,3-16H2,1-2H3,(H2,23,27)(H,24,25)/t18?,19-/m0/s1