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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(2-acetamidoethanoyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(2-acetamidoacetyl)piperazine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2-acetamido-1-oxoethyl)-1-piperazinyl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(2-acetamidoacetyl)piperazine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-acetamidoacetyl)piperazine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H27N5O7S MolecularWeight: 493.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC(=O)NCC(=O)N1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C21H27N5O7S/c1-14(27)22-11-19(28)23-6-8-24(9-7-23)20(29)18-10-17(34)12-25(18)21(30)33-13-15-2-4-16(5-3-15)26(31)32/h2-5,17-18,34H,6-13H2,1H3,(H,22,27)