3-cyclohexyl-3-[[1-(5-nitrofuran-2-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(5-nitrofuran-2-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(5-nitro-2-furanyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(5-nitro-2-furoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C25H30N4O9S MolecularWeight: 562.5921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O9S/c30-22(31)15-19(18-9-5-2-6-10-18)26-23(32)24-27(25(33)20-11-12-21(38-20)29(34)35)13-14-28(24)39(36,37)16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,18-19,24H,2,5-6,9-10,13-16H2,(H,26,32)(H,30,31)