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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(aminocarbonylamino)ethylsulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(2-ureidoethylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 2-[[2-(carbamoylamino)ethylthio]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(carbamoylamino)ethylsulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[(2-ureidoethylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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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-])S

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5S2/c17-15(21)18-5-6-27-10-13-7-14(26)8-19(13)16(22)25-9-11-1-3-12(4-2-11)20(23)24/h1-4,13-14,26H,5-10H2,(H3,17,18,21)