3-cyclohexyl-3-[(5-nitrofuran-2-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[(5-nitrofuran-2-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[(5-nitro-2-furyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[(5-nitro-2-furanyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[(5-nitrofuran-2-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[(5-nitro-2-furyl)methyl-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C22H29N2O8P MolecularWeight: 480.448021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N2O8P/c25-22(26)12-20(18-4-2-1-3-5-18)23(14-19-10-11-21(32-19)24(27)28)13-16-6-8-17(9-7-16)15-33(29,30)31/h6-11,18,20H,1-5,12-15H2,(H,25,26)(H2,29,30,31)