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3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid

3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid

Systemtic Name:3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid
Openeye Name:3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid
CAS Name:3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid
IUPAC Name:3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid
Traditional Name:3-cyclohexyl-3-[1H-imidazol-2-ylmethyl-[4-(phosphonomethyl)benzyl]amino]propionic acid
Formula: C21H30N3O5P
MolecularWeight: 435.453761
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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=NC=CN3


Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=NC=CN3


InChI

InChI=1S/C21H30N3O5P/c25-21(26)12-19(18-4-2-1-3-5-18)24(14-20-22-10-11-23-20)13-16-6-8-17(9-7-16)15-30(27,28)29/h6-11,18-19H,1-5,12-15H2,(H,22,23)(H,25,26)(H2,27,28,29)


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