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

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Openeye Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one CAS Name: 2-[[(1-carbamimidoyl-3-pyrrolidinyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; 3-(4-nitrophenyl)-2-oxiranone IUPAC Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate; 3-(4-nitrophenyl)oxiran-2-one Traditional Name: 2-[(1-amidinopyrrolidin-3-yl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; 3-(4-nitrophenyl)oxiran-2-one Formula: C26H29N7O9S MolecularWeight: 615.61496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=N)N.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=N)N.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O5S.C8H5NO4/c19-17(20)22-6-5-12(8-22)21-16(25)15-7-14(30)9-23(15)18(26)29-10-11-1-3-13(4-2-11)24(27)28;10-8-7(13-8)5-1-3-6(4-2-5)9(11)12/h1-4,12,14-15,30H,5-10H2,(H3,19,20)(H,21,25);1-4,7H