(4-nitrophenyl)methyl 2-[2-(aminocarbonylamino)ethylsulfanylmethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(aminocarbonylamino)ethylsulfanylmethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(2-ureidoethylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[[2-(carbamoylamino)ethylthio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-[2-(carbamoylamino)ethylsulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-[(2-ureidoethylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1CSCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O6S2/c24-22(29)25-10-11-34-15-19-12-20(35-21(28)17-4-2-1-3-5-17)13-26(19)23(30)33-14-16-6-8-18(9-7-16)27(31)32/h1-9,19-20H,10-15H2,(H3,24,25,29)