2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphono-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphono-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphono-propanoyl]amino]acetic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-phosphonopropyl]amino]acetic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphonopropanoyl]amino]acetic acid Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-(phosphonomethyl)propanoyl]amino]acetic acid Formula: C13H16NO8P MolecularWeight: 345.241801

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CP(=O)(O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CP(=O)(O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C13H16NO8P/c15-12(16)5-14-13(17)9(6-23(18,19)20)3-8-1-2-10-11(4-8)22-7-21-10/h1-2,4,9H,3,5-7H2,(H,14,17)(H,15,16)(H2,18,19,20)