(4-nitrophenyl)methyl 2-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]thio]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]sulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-1-methyl-ethyl]thio]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O6S2 MolecularWeight: 456.53636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)N)SCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(C(=O)NCC(=O)N)SCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C18H24N4O6S2/c1-11(17(24)20-7-16(19)23)30-10-14-6-15(29)8-21(14)18(25)28-9-12-2-4-13(5-3-12)22(26)27/h2-5,11,14-15,29H,6-10H2,1H3,(H2,19,23)(H,20,24)