(2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-benzyloxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-benzoxyphenyl)thio]propionamide Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34N2O3S/c1-19(31)29-26(27(32)30-28-14-21-11-22(15-28)13-23(12-21)16-28)18-34-25-9-7-24(8-10-25)33-17-20-5-3-2-4-6-20/h2-10,21-23,26H,11-18H2,1H3,(H,29,31)(H,30,32)/t21?,22?,23?,26-,28?/m1/s1