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

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(1-carbamimidoyl-3-pyrrolidinyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-carbamimidoylpyrrolidin-3-yl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(1-amidinopyrrolidin-3-yl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N6O5S MolecularWeight: 436.48536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O5S/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/h1-4,12,14-15,30H,5-10H2,(H3,19,20)(H,21,25)