3-[[2-(phenylmethyl)-3-phosphono-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-(phenylmethyl)-3-phosphono-propanoyl]amino]propanoic acid Openeye Name: 3-[(2-benzyl-3-phosphono-propanoyl)amino]propanoic acid CAS Name: 3-[[1-oxo-2-(phenylmethyl)-3-phosphonopropyl]amino]propanoic acid IUPAC Name: 3-[(2-benzyl-3-phosphonopropanoyl)amino]propanoic acid Traditional Name: 3-[(2-benzyl-3-phosphono-propanoyl)amino]propionic acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CP(=O)(O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CP(=O)(O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H18NO6P/c15-12(16)6-7-14-13(17)11(9-21(18,19)20)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,17)(H,15,16)(H2,18,19,20)