(2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(4-phenoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-[(4-phenoxyphenyl)thio]propionamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O4S/c1-20(30)27-25(26(31)28(16-17-29)18-21-8-4-2-5-9-21)19-33-24-14-12-23(13-15-24)32-22-10-6-3-7-11-22/h2-15,25,29H,16-19H2,1H3,(H,27,30)/t25-/m1/s1