(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-butylphenyl)thio]-N-phenethyl-propionamide Formula: C30H36N2O2S MolecularWeight: 488.68404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C30H36N2O2S/c1-3-4-11-26-16-18-28(19-17-26)35-23-29(31-24(2)33)30(34)32(22-27-14-9-6-10-15-27)21-20-25-12-7-5-8-13-25/h5-10,12-19,29H,3-4,11,20-23H2,1-2H3,(H,31,33)/t29-/m1/s1