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

Systemtic Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide Openeye Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide CAS Name: (2R)-2-acetamido-3-[(3-bromophenyl)thio]-N-[(2S)-2-ethylhexyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide Traditional Name: (2R)-2-acetamido-3-[(3-bromophenyl)thio]-N-[(2S)-2-ethylhexyl]propionamide Formula: C19H29BrN2O2S MolecularWeight: 429.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(CSC1=CC(=CC=C1)Br)NC(=O)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)[C@H](CSC1=CC(=CC=C1)Br)NC(=O)C

InChI

InChI=1S/C19H29BrN2O2S/c1-4-6-8-15(5-2)12-21-19(24)18(22-14(3)23)13-25-17-10-7-9-16(20)11-17/h7,9-11,15,18H,4-6,8,12-13H2,1-3H3,(H,21,24)(H,22,23)/t15-,18-/m0/s1