methyl (2S)-2-[[(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S)-1-[[(2S,3S)-3-ethyl-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H33N3O3S MolecularWeight: 371.53792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCNC1CN2CCCC2C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC[C@H]1CCN[C@@H]1CN2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H33N3O3S/c1-4-13-7-9-19-15(13)12-21-10-5-6-16(21)17(22)20-14(8-11-25-3)18(23)24-2/h13-16,19H,4-12H2,1-3H3,(H,20,22)/t13-,14-,15+,16-/m0/s1