3-[[4-(2-carboxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[4-(2-carboxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-(2-carboxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: 3-[[4-(2-carboxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 3-[[4-(2-carboxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-(2-carboxyethylamino)-6-phenoxy-s-triazin-2-yl]amino]propionic acid Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NCCC(=O)O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NCCC(=O)O)NCCC(=O)O

InChI

InChI=1S/C15H17N5O5/c21-11(22)6-8-16-13-18-14(17-9-7-12(23)24)20-15(19-13)25-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,21,22)(H,23,24)(H2,16,17,18,19,20)