methyl (2S)-4-methylsulfanyl-2-[[(2S,4R)-4-phenylpyrrolidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(2S,4R)-4-phenylpyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(2S,4R)-4-phenyl-2-pyrrolidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2S,4R)-4-phenylprolyl]amino]butyric acid methyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC(CN1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-22-17(21)14(8-9-23-2)19-16(20)15-10-13(11-18-15)12-6-4-3-5-7-12/h3-7,13-15,18H,8-11H2,1-2H3,(H,19,20)/t13-,14-,15-/m0/s1