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

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-[[(3S)-1-methanoylpyrrolidin-3-yl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-[[(3S)-1-formylpyrrolidin-3-yl]sulfanylmethyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[[[(3S)-1-formyl-3-pyrrolidinyl]thio]methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-[[(3S)-1-formylpyrrolidin-3-yl]sulfanylmethyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[[[(3S)-1-formylpyrrolidin-3-yl]thio]methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O)C=O

Isomeric SMILES

C1CN(C[C@H]1SC[C@@H]2C[C@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O)C=O

InChI

InChI=1S/C18H23N3O6S/c22-12-19-6-5-17(9-19)28-11-15-7-16(23)8-20(15)18(24)27-10-13-1-3-14(4-2-13)21(25)26/h1-4,12,15-17,23H,5-11H2/t15-,16+,17-/m0/s1