3-[[2-(phosphonomethylamino)-3-(4-thiophen-2-ylphenyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-(phosphonomethylamino)-3-(4-thiophen-2-ylphenyl)propanoyl]amino]propanoic acid Openeye Name: 3-[[2-(phosphonomethylamino)-3-[4-(2-thienyl)phenyl]propanoyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-(phosphonomethylamino)-3-(4-thiophen-2-ylphenyl)propyl]amino]propanoic acid IUPAC Name: 3-[[2-(phosphonomethylamino)-3-(4-thiophen-2-ylphenyl)propanoyl]amino]propanoic acid Traditional Name: 3-[[2-(phosphonomethylamino)-3-[4-(2-thienyl)phenyl]propanoyl]amino]propionic acid Formula: C17H21N2O6PS MolecularWeight: 412.397201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(C=C2)CC(C(=O)NCCC(=O)O)NCP(=O)(O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(C=C2)CC(C(=O)NCCC(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C17H21N2O6PS/c20-16(21)7-8-18-17(22)14(19-11-26(23,24)25)10-12-3-5-13(6-4-12)15-2-1-9-27-15/h1-6,9,14,19H,7-8,10-11H2,(H,18,22)(H,20,21)(H2,23,24,25)