(4-nitrophenyl)methyl (2S,4R)-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-4-hydroxy-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-hydroxy-2-[[[(3S)-1-methyl-3-pyrrolidinyl]thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-4-hydroxy-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-hydroxy-2-[[[(3S)-1-methylpyrrolidin-3-yl]thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1CC[C@@H](C1)SC[C@@H]2C[C@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H25N3O5S/c1-19-7-6-17(10-19)27-12-15-8-16(22)9-20(15)18(23)26-11-13-2-4-14(5-3-13)21(24)25/h2-5,15-17,22H,6-12H2,1H3/t15-,16+,17-/m0/s1