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

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

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CSCCNC(=O)N)S

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CSCCNC(=O)N)S

InChI

InChI=1S/C16H22N4O5S2/c17-14(21)18-7-9-27-11-16(26)6-1-8-19(16)15(22)25-10-12-2-4-13(5-3-12)20(23)24/h2-5,26H,1,6-11H2,(H3,17,18,21)