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

Systemtic Name: methyl (2S)-2-[[(2S,4R)-4-(2-methoxyphenyl)pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,4R)-4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-4-(2-methoxyphenyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-4-(2-methoxyphenyl)prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(NC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C[C@H](NC2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H26N2O4S/c1-23-16-7-5-4-6-13(16)12-10-15(19-11-12)17(21)20-14(8-9-25-3)18(22)24-2/h4-7,12,14-15,19H,8-11H2,1-3H3,(H,20,21)/t12-,14-,15-/m0/s1