[3-[(2S)-2-acetamido-4-azanyl-4-oxidanylidene-butanoyl]oxy-2-oxidanyl-propyl] dodecanoate

Systemtic Name: [3-[(2S)-2-acetamido-4-azanyl-4-oxidanylidene-butanoyl]oxy-2-oxidanyl-propyl] dodecanoate Openeye Name: [3-[(2S)-2-acetamido-4-amino-4-oxo-butanoyl]oxy-2-hydroxy-propyl] dodecanoate CAS Name: dodecanoic acid [3-[(2S)-2-acetamido-4-amino-1,4-dioxobutoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-acetamido-4-amino-4-oxobutanoyl]oxy-2-hydroxypropyl] dodecanoate Traditional Name: lauric acid [3-[(2S)-2-acetamido-4-amino-4-keto-butanoyl]oxy-2-hydroxy-propyl] ester Formula: C21H38N2O7 MolecularWeight: 430.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N2O7/c1-3-4-5-6-7-8-9-10-11-12-20(27)29-14-17(25)15-30-21(28)18(13-19(22)26)23-16(2)24/h17-18,25H,3-15H2,1-2H3,(H2,22,26)(H,23,24)/t17?,18-/m0/s1