(2S,3S)-2-(docosylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-(docosylamino)-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-(docosylamino)-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-(docosylamino)-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-(docosylamino)-3-methylpentanoic acid Traditional Name: (2S,3S)-2-(behenylamino)-3-methyl-valeric acid Formula: C28H57NO2 MolecularWeight: 439.75768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCN[C@@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C28H57NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(28(30)31)26(3)5-2/h26-27,29H,4-25H2,1-3H3,(H,30,31)/t26-,27-/m0/s1