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

Systemtic Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-[(1-nosylprolyl)amino]propionic acid Formula: C22H24N4O9S MolecularWeight: 520.51236

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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)OCC3=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)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N4O9S/c27-20(24-18(21(28)29)13-23-22(30)35-14-15-5-2-1-3-6-15)19-7-4-12-25(19)36(33,34)17-10-8-16(9-11-17)26(31)32/h1-3,5-6,8-11,18-19H,4,7,12-14H2,(H,23,30)(H,24,27)(H,28,29)