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

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Openeye Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one CAS Name: 2-[[(1-carbamimidoyl-3-azetidinyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; 3-(4-nitrophenyl)-2-oxiranone IUPAC Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylazetidin-3-yl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Traditional Name: 2-[(1-amidinoazetidin-3-yl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; 3-(4-nitrophenyl)oxiran-2-one Formula: C25H27N7O9S MolecularWeight: 601.58838

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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.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NC2CN(C2)C(=N)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O5S.C8H5NO4/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;10-8-7(13-8)5-1-3-6(4-2-5)9(11)12/h1-4,11,13-14,29H,5-9H2,(H3,18,19)(H,20,24);1-4,7H