(4-nitrophenyl)methyl (2R,4S)-2-[3-(methylamino)-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(methylamino)-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(methylamino)-3-oxo-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,4S)-4-mercapto-2-[3-(methylamino)-3-oxopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(methylamino)-3-oxopropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-[3-keto-3-(methylamino)propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CNC(=O)CC[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O5S/c1-17-15(20)7-6-13-8-14(25)9-18(13)16(21)24-10-11-2-4-12(5-3-11)19(22)23/h2-5,13-14,25H,6-10H2,1H3,(H,17,20)/t13-,14+/m1/s1