(2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide CAS Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-[(2S)-2-ethylhexyl]propionamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C26H36N2O3S/c1-4-6-10-21(5-2)17-27-26(30)25(28-20(3)29)19-32-24-15-13-23(14-16-24)31-18-22-11-8-7-9-12-22/h7-9,11-16,21,25H,4-6,10,17-19H2,1-3H3,(H,27,30)(H,28,29)/t21-,25-/m0/s1