4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]-1H-pyrrole-2-carboxylic acid Formula: C20H20N4O8S MolecularWeight: 476.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CNC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CNC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C20H20N4O8S/c25-17(33)6-12-5-16(18(26)22-13-7-15(19(27)28)21-8-13)23(9-12)20(29)32-10-11-1-3-14(4-2-11)24(30)31/h1-4,7-8,12,16,21H,5-6,9-10H2,(H,22,26)(H,25,33)(H,27,28)