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

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC2=CN=CC=C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CN=CC=C2)NC(=O)C

InChI

InChI=1S/C21H27N3O2S/c1-3-4-6-17-8-10-19(11-9-17)27-15-20(24-16(2)25)21(26)23-14-18-7-5-12-22-13-18/h5,7-13,20H,3-4,6,14-15H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1