(4-nitrophenyl)methyl 2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(C)(CNC(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C18H26N4O6S/c1-18(2,11-20-16(19)23)28-10-14-7-15(29)8-21(14)17(24)27-9-12-3-5-13(6-4-12)22(25)26/h3-6,14-15,29H,7-11H2,1-2H3,(H3,19,20,23)