(4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(1-carbamimidoyl-3-azetidinyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(1-amidinoazetidin-3-yl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N6O5S MolecularWeight: 422.45878

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2CN(C2)C(=N)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)NC2CN(C2)C(=N)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H22N6O5S/c18-16(19)21-6-11(7-21)20-15(24)14-5-13(29)8-22(14)17(25)28-9-10-1-3-12(4-2-10)23(26)27/h1-4,11,13-14,29H,5-9H2,(H3,18,19)(H,20,24)