(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(1R)-1-phenylethyl]propionamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-4-5-9-19-12-14-21(15-13-19)28-16-22(25-18(3)26)23(27)24-17(2)20-10-7-6-8-11-20/h6-8,10-15,17,22H,4-5,9,16H2,1-3H3,(H,24,27)(H,25,26)/t17-,22-/m1/s1