(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2S)-2-oxidanylpropyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2S)-2-oxidanylpropyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(2S)-2-hydroxypropyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(2S)-2-hydroxypropyl]propionamide Formula: C18H28N2O3S MolecularWeight: 352.49152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC(C)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S/c1-4-5-6-15-7-9-16(10-8-15)24-12-17(20-14(3)22)18(23)19-11-13(2)21/h7-10,13,17,21H,4-6,11-12H2,1-3H3,(H,19,23)(H,20,22)/t13-,17+/m0/s1