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

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2R)-2-ethylhexyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2R)-2-ethylhexyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(2R)-2-ethylhexyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(2R)-2-ethylhexyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(2R)-2-ethylhexyl]propionamide Formula: C23H38N2O2S MolecularWeight: 406.62502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O2S/c1-5-8-10-19(7-3)16-24-23(27)22(25-18(4)26)17-28-21-14-12-20(13-15-21)11-9-6-2/h12-15,19,22H,5-11,16-17H2,1-4H3,(H,24,27)(H,25,26)/t19-,22-/m1/s1