3-cyclohexyl-3-[[1-(4-nitrophenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(4-nitrophenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(4-nitrophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H32N4O8S MolecularWeight: 572.62998

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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(C=C4)[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(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O8S/c32-24(33)17-23(20-9-5-2-6-10-20)28-25(34)26-29(27(35)21-11-13-22(14-12-21)31(36)37)15-16-30(26)40(38,39)18-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,20,23,26H,2,5-6,9-10,15-18H2,(H,28,34)(H,32,33)