[(1R)-1-cyanoethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [(1R)-1-cyanoethyl] ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H26N2O3S/c1-13(12-20)24-18(23)16(10-11-25-5)21-17(22)14-6-8-15(9-7-14)19(2,3)4/h6-9,13,16H,10-11H2,1-5H3,(H,21,22)/t13-,16+/m1/s1