(2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: (2S)-2-acetamido-N-[3-(4-morpholinyl)propyl]-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-(3-morpholinopropyl)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C25H33N3O4S/c1-20(29)27-24(25(30)26-12-5-13-28-14-16-31-17-15-28)19-33-23-10-8-22(9-11-23)32-18-21-6-3-2-4-7-21/h2-4,6-11,24H,5,12-19H2,1H3,(H,26,30)(H,27,29)/t24-/m1/s1