(4-nitrophenyl)methyl (2S,4S)-2-(1,3-diazidopropyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-(1,3-diazidopropyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(1,3-diazidopropyl)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-(1,3-diazidopropyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(1,3-diazidopropyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-(1,3-diazidopropyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N8O5S MolecularWeight: 448.4563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(CCN=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(CCN=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C17H20N8O5S/c1-11(26)31-14-8-16(15(21-23-19)6-7-20-22-18)24(9-14)17(27)30-10-12-2-4-13(5-3-12)25(28)29/h2-5,14-16H,6-10H2,1H3/t14-,15?,16-/m0/s1