(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methylphenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-chloro-4-methyl-phenyl)thio]-N-phenethyl-propionamide Formula: C27H29ClN2O2S MolecularWeight: 481.04936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C)Cl

InChI

InChI=1S/C27H29ClN2O2S/c1-20-13-14-24(17-25(20)28)33-19-26(29-21(2)31)27(32)30(18-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,17,26H,15-16,18-19H2,1-2H3,(H,29,31)/t26-/m1/s1