2-[[2-(hexadecylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(hexadecylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(hexadecylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(hexadecylamino)-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(hexadecylamino)-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(cetylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C26H52N2O3 MolecularWeight: 440.70268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(C(C)C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(C(C)C)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C26H52N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(21(2)3)25(29)28-24(22(4)5)26(30)31/h21-24,27H,6-20H2,1-5H3,(H,28,29)(H,30,31)