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

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[(3S)-1-methyl-3-pyrrolidinyl]thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(3S)-1-methylpyrrolidin-3-yl]sulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[[[(3S)-1-methylpyrrolidin-3-yl]thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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-])S

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S2/c1-19-7-6-17(10-19)27-12-15-8-16(26)9-20(15)18(22)25-11-13-2-4-14(5-3-13)21(23)24/h2-5,15-17,26H,6-12H2,1H3/t15-,16-,17-/m0/s1