2-(henicosanoylamino)-4-methyl-pentanoic acid

Systemtic Name: 2-(henicosanoylamino)-4-methyl-pentanoic acid Openeye Name: 2-(henicosanoylamino)-4-methyl-pentanoic acid CAS Name: 4-methyl-2-(1-oxoheneicosylamino)pentanoic acid IUPAC Name: 2-(henicosanoylamino)-4-methylpentanoic acid Traditional Name: 2-(heneicosanoylamino)-4-methyl-valeric acid Formula: C27H53NO3 MolecularWeight: 439.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C27H53NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(29)28-25(27(30)31)23-24(2)3/h24-25H,4-23H2,1-3H3,(H,28,29)(H,30,31)