(2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-(4-methylsulfanylphenyl)carbonylphenyl]-phenyl-methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-(4-methylsulfanylphenyl)carbonylphenyl]-phenyl-methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-(4-methylsulfanylbenzoyl)phenyl]-phenyl-methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-[[4-(methylthio)phenyl]-oxomethyl]phenyl]-phenylmethoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-(4-methylsulfanylbenzoyl)phenyl]-phenylmethoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(R)-[4-[4-(methylthio)benzoyl]phenyl]-phenyl-methoxy]valeramide Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)O[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C29H30N2O3S/c1-20(2)19-26(29(33)31-18-17-30)34-28(23-7-5-4-6-8-23)24-11-9-21(10-12-24)27(32)22-13-15-25(35-3)16-14-22/h4-16,20,26,28H,18-19H2,1-3H3,(H,31,33)/t26-,28+/m0/s1