N-hexadecyl-3-methyl-2,3,4-tris(oxidanyl)-N'-(pyridin-2-ylmethyl)pentanediamide

Systemtic Name: N-hexadecyl-3-methyl-2,3,4-tris(oxidanyl)-N'-(pyridin-2-ylmethyl)pentanediamide Openeye Name: N-hexadecyl-2,3,4-trihydroxy-3-methyl-N'-(2-pyridylmethyl)pentanediamide CAS Name: N-hexadecyl-2,3,4-trihydroxy-3-methyl-N'-(2-pyridinylmethyl)pentanediamide IUPAC Name: N-hexadecyl-2,3,4-trihydroxy-3-methyl-N'-(pyridin-2-ylmethyl)pentanediamide Traditional Name: N-cetyl-2,3,4-trihydroxy-3-methyl-N'-(2-pyridylmethyl)glutaramide Formula: C28H49N3O5 MolecularWeight: 507.70576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)NCC1=CC=CC=N1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)NCC1=CC=CC=N1)O)O)O

InChI

InChI=1S/C28H49N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-30-26(34)24(32)28(2,36)25(33)27(35)31-22-23-19-16-18-20-29-23/h16,18-20,24-25,32-33,36H,3-15,17,21-22H2,1-2H3,(H,30,34)(H,31,35)