2-azanyl-3-[3,4-diethyl-2-(2-phosphonoethanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,4-diethyl-2-(2-phosphonoethanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3,4-diethyl-2-(2-phosphonoacetyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3,4-diethyl-2-(1-oxo-2-phosphonoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,4-diethyl-2-(2-phosphonoacetyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3,4-diethyl-2-(2-phosphonoacetyl)phenyl]propionic acid Formula: C15H22NO6P MolecularWeight: 343.312041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)CC(C(=O)O)N)C(=O)CP(=O)(O)O)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)CC(C(=O)O)N)C(=O)CP(=O)(O)O)CC

InChI

InChI=1S/C15H22NO6P/c1-3-9-5-6-10(7-12(16)15(18)19)14(11(9)4-2)13(17)8-23(20,21)22/h5-6,12H,3-4,7-8,16H2,1-2H3,(H,18,19)(H2,20,21,22)