3-[[1-ethanoyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-ethanoyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[(1-acetyl-3-benzylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-acetyl-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(1-acetyl-3-benzylsulfonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-acetyl-3-benzylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C22H24N4O8S MolecularWeight: 504.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O8S/c1-15(27)24-10-11-25(35(33,34)14-16-6-3-2-4-7-16)22(24)21(30)23-19(13-20(28)29)17-8-5-9-18(12-17)26(31)32/h2-9,12,19,22H,10-11,13-14H2,1H3,(H,23,30)(H,28,29)