(4-nitrophenyl)methyl 2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(2-amino-2-oxo-ethyl)piperazine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2-amino-2-oxoethyl)-1-piperazinyl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(2-amino-2-oxoethyl)piperazine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-amino-2-keto-ethyl)piperazine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CN(CCN1CC(=O)N)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H25N5O6S/c20-17(25)11-21-5-7-22(8-6-21)18(26)16-9-15(31)10-23(16)19(27)30-12-13-1-3-14(4-2-13)24(28)29/h1-4,15-16,31H,5-12H2,(H2,20,25)