(4-nitrophenyl)methyl 1-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one

Systemtic Name: (4-nitrophenyl)methyl 1-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Openeye Name: (4-nitrophenyl)methyl 1-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one CAS Name: 1-[[(1-carbamimidoyl-3-pyrrolidinyl)amino]-oxomethyl]-3-mercapto-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester; 3-(4-nitrophenyl)-2-oxiranone IUPAC Name: (4-nitrophenyl)methyl 1-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-3-sulfanylpyrrolidin-1-ium-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Traditional Name: 1-[(1-amidinopyrrolidin-3-yl)carbamoyl]-3-mercapto-pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester; 3-(4-nitrophenyl)oxiran-2-one Formula: C26H30N7O9S+ MolecularWeight: 616.6229

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)[N+]2(CCC(C2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=N)N.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1NC(=O)[N+]2(CCC(C2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=N)N.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O5S.C8H5NO4/c19-16(20)22-7-5-13(9-22)21-17(25)24(8-6-15(30)10-24)18(26)29-11-12-1-3-14(4-2-12)23(27)28;10-8-7(13-8)5-1-3-6(4-2-5)9(11)12/h1-4,13,15H,5-11H2,(H4-,19,20,21,25,30);1-4,7H/p+1