(4-nitrophenyl)methyl 2-[3-[(aminocarbonylamino)methylamino]-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-[(aminocarbonylamino)methylamino]-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-methyl-3-oxo-1-sulfanyl-3-(ureidomethylamino)propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[3-[(carbamoylamino)methylamino]-1-mercapto-2-methyl-3-oxopropyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-[(carbamoylamino)methylamino]-2-methyl-3-oxo-1-sulfanylpropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-keto-1-mercapto-2-methyl-3-(ureidomethylamino)propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N5O6S2 MolecularWeight: 471.551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)S)C(=O)NCNC(=O)N

Isomeric SMILES

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)S)C(=O)NCNC(=O)N

InChI

InChI=1S/C18H25N5O6S2/c1-10(16(24)20-9-21-17(19)25)15(31)14-6-13(30)7-22(14)18(26)29-8-11-2-4-12(5-3-11)23(27)28/h2-5,10,13-15,30-31H,6-9H2,1H3,(H,20,24)(H3,19,21,25)