11-[[(2S)-2-(decanoylamino)-3-methyl-butanoyl]amino]-N-(pyridin-4-ylmethyl)undecanamide

Systemtic Name: 11-[[(2S)-2-(decanoylamino)-3-methyl-butanoyl]amino]-N-(pyridin-4-ylmethyl)undecanamide Openeye Name: 11-[[(2S)-2-(decanoylamino)-3-methyl-butanoyl]amino]-N-(4-pyridylmethyl)undecanamide CAS Name: 11-[[(2S)-3-methyl-1-oxo-2-(1-oxodecylamino)butyl]amino]-N-(pyridin-4-ylmethyl)undecanamide IUPAC Name: 11-[[(2S)-2-(decanoylamino)-3-methylbutanoyl]amino]-N-(pyridin-4-ylmethyl)undecanamide Traditional Name: 11-[[(2S)-2-(caprylamino)-3-methyl-butanoyl]amino]-N-(4-pyridylmethyl)undecanamide Formula: C32H56N4O3 MolecularWeight: 544.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(C)C)C(=O)NCCCCCCCCCCC(=O)NCC1=CC=NC=C1

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)NCCCCCCCCCCC(=O)NCC1=CC=NC=C1

InChI

InChI=1S/C32H56N4O3/c1-4-5-6-7-10-14-17-20-30(38)36-31(27(2)3)32(39)34-23-18-15-12-9-8-11-13-16-19-29(37)35-26-28-21-24-33-25-22-28/h21-22,24-25,27,31H,4-20,23,26H2,1-3H3,(H,34,39)(H,35,37)(H,36,38)/t31-/m0/s1