(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-phenylmethoxyphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C24H25N3O3S/c1-18(28)27-23(24(29)26-15-20-8-5-13-25-14-20)17-31-22-11-9-21(10-12-22)30-16-19-6-3-2-4-7-19/h2-14,23H,15-17H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1