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

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-benzyloxyphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(4-phenylmethoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-benzyl-N-(2-hydroxyethyl)propionamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O4S/c1-21(31)28-26(27(32)29(16-17-30)18-22-8-4-2-5-9-22)20-34-25-14-12-24(13-15-25)33-19-23-10-6-3-7-11-23/h2-15,26,30H,16-20H2,1H3,(H,28,31)/t26-/m1/s1