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

Systemtic Name: [3-[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]oxy-2-oxidanyl-propyl] dodecanoate Openeye Name: [3-[(2S)-2-acetamido-5-guanidino-pentanoyl]oxy-2-hydroxy-propyl] dodecanoate CAS Name: dodecanoic acid [3-[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]oxy-2-hydroxypropyl] dodecanoate Traditional Name: lauric acid [3-[(2S)-2-acetamido-5-guanidino-pentanoyl]oxy-2-hydroxy-propyl] ester Formula: C23H44N4O6 MolecularWeight: 472.61866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44N4O6/c1-3-4-5-6-7-8-9-10-11-14-21(30)32-16-19(29)17-33-22(31)20(27-18(2)28)13-12-15-26-23(24)25/h19-20,29H,3-17H2,1-2H3,(H,27,28)(H4,24,25,26)/t19?,20-/m0/s1