3-[(4-nitrophenyl)carbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(4-nitrophenyl)carbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-nitrophenyl)carbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[(4-nitrophenyl)carbamoylamino]-2-[(1-nosylprolyl)amino]propionic acid Formula: C21H22N6O10S MolecularWeight: 550.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N6O10S/c28-19(18-2-1-11-25(18)38(36,37)16-9-7-15(8-10-16)27(34)35)24-17(20(29)30)12-22-21(31)23-13-3-5-14(6-4-13)26(32)33/h3-10,17-18H,1-2,11-12H2,(H,24,28)(H,29,30)(H2,22,23,31)