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

Systemtic Name: 3-benzamido-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-benzamido-2-[(1-nosylprolyl)amino]propionic acid Formula: C21H22N4O8S MolecularWeight: 490.48638

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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)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O8S/c26-19(14-5-2-1-3-6-14)22-13-17(21(28)29)23-20(27)18-7-4-12-24(18)34(32,33)16-10-8-15(9-11-16)25(30)31/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,22,26)(H,23,27)(H,28,29)