5-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pentanoic acid

Systemtic Name: 5-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pentanoic acid Openeye Name: 5-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pentanoic acid CAS Name: 5-[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]pentanoic acid IUPAC Name: 5-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pentanoic acid Traditional Name: 5-[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]valeric acid Formula: C19H24N2O7S MolecularWeight: 424.46806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCCCC(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCCCC(=O)O

InChI

InChI=1S/C19H24N2O7S/c1-13(22)29-17-10-16(4-2-3-5-18(23)24)20(11-17)19(25)28-12-14-6-8-15(9-7-14)21(26)27/h6-9,16-17H,2-5,10-12H2,1H3,(H,23,24)