3-cyclohexyl-3-[(4-nitrophenyl)carbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[(4-nitrophenyl)carbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[(4-nitrobenzoyl)-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[(4-nitrophenyl)-oxomethyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[(4-nitrobenzoyl)-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[(4-nitrobenzoyl)-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C24H29N2O8P MolecularWeight: 504.469421

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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)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N2O8P/c27-23(28)14-22(19-4-2-1-3-5-19)25(24(29)20-10-12-21(13-11-20)26(30)31)15-17-6-8-18(9-7-17)16-35(32,33)34/h6-13,19,22H,1-5,14-16H2,(H,27,28)(H2,32,33,34)