(2S)-4-methyl-N-phenyl-2-[[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]pentanamide

Systemtic Name: (2S)-4-methyl-N-phenyl-2-[[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]pentanamide Openeye Name: (2S)-4-methyl-N-phenyl-2-[[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]pentanamide CAS Name: (2S)-2-[[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]amino]-4-methyl-N-phenylpentanamide IUPAC Name: (2S)-4-methyl-N-phenyl-2-[[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]pentanamide Traditional Name: (2S)-2-[[2-(mercaptomethyl)-4-phenyl-butanoyl]amino]-4-methyl-N-phenyl-valeramide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)CS

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)CS

InChI

InChI=1S/C23H30N2O2S/c1-17(2)15-21(23(27)24-20-11-7-4-8-12-20)25-22(26)19(16-28)14-13-18-9-5-3-6-10-18/h3-12,17,19,21,28H,13-16H2,1-2H3,(H,24,27)(H,25,26)/t19?,21-/m0/s1