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

Systemtic Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(3-phenylpropanoylamino)propanoic acid Openeye Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(3-phenylpropanoylamino)propanoic acid Traditional Name: 3-(hydrocinnamoylamino)-2-[(1-nosylprolyl)amino]propionic acid Formula: C23H26N4O8S MolecularWeight: 518.53954

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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)CCC3=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)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N4O8S/c28-21(13-8-16-5-2-1-3-6-16)24-15-19(23(30)31)25-22(29)20-7-4-14-26(20)36(34,35)18-11-9-17(10-12-18)27(32)33/h1-3,5-6,9-12,19-20H,4,7-8,13-15H2,(H,24,28)(H,25,29)(H,30,31)