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

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-phenoxyphenyl)thio]propionamide Formula: C27H32N2O3S MolecularWeight: 464.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O3S/c1-18(30)28-25(26(31)29-27-14-19-11-20(15-27)13-21(12-19)16-27)17-33-24-9-7-23(8-10-24)32-22-5-3-2-4-6-22/h2-10,19-21,25H,11-17H2,1H3,(H,28,30)(H,29,31)/t19?,20?,21?,25-,27?/m1/s1