[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl] (2S)-6-azanyl-2-(hexadecanoylamino)hexanoate

Systemtic Name: [(2S,3R)-2-azanyl-3-oxidanyl-butanoyl] (2S)-6-azanyl-2-(hexadecanoylamino)hexanoate Openeye Name: [(2S,3R)-2-amino-3-hydroxy-butanoyl] (2S)-6-amino-2-(hexadecanoylamino)hexanoate CAS Name: (2S)-6-amino-2-(1-oxohexadecylamino)hexanoic acid [(2S,3R)-2-amino-3-hydroxy-1-oxobutyl] ester IUPAC Name: [(2S,3R)-2-amino-3-hydroxybutanoyl] (2S)-6-amino-2-(hexadecanoylamino)hexanoate Traditional Name: (2S)-6-amino-2-palmitamido-hexanoic acid [(2S,3R)-2-amino-3-hydroxy-butanoyl] ester Formula: C26H51N3O5 MolecularWeight: 485.70024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)OC(=O)C(C(C)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C26H51N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23(31)29-22(18-16-17-20-27)25(32)34-26(33)24(28)21(2)30/h21-22,24,30H,3-20,27-28H2,1-2H3,(H,29,31)/t21-,22+,24+/m1/s1