(4-nitrophenyl)methyl 2-aminocarbonyl-1-[1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-1-[1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-1-[1-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 2-carbamoyl-4-mercapto-1-[1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl]-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-1-[1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]-4-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: 2-carbamoyl-4-mercapto-1-[1-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethyl]pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H28N5O9S+ MolecularWeight: 562.57222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+]2(CC(CC2C(=O)N)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+]2(CC(CC2C(=O)N)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O9S/c1-15(11-26-23(31)37-13-16-2-6-18(7-3-16)27(33)34)29(12-20(39)10-21(29)22(25)30)24(32)38-14-17-4-8-19(9-5-17)28(35)36/h2-9,15,20-21H,10-14H2,1H3,(H3-,25,26,30,31,39)/p+1