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

Systemtic Name: (2S)-2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphono-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphono-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-phosphonopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-phosphonopropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[3-(1,3-benzodioxol-5-yl)-2-(phosphonomethyl)propanoyl]amino]propionic acid Formula: C14H18NO8P MolecularWeight: 359.268381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCO2)CP(=O)(O)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCO2)CP(=O)(O)O

InChI

InChI=1S/C14H18NO8P/c1-8(14(17)18)15-13(16)10(6-24(19,20)21)4-9-2-3-11-12(5-9)23-7-22-11/h2-3,5,8,10H,4,6-7H2,1H3,(H,15,16)(H,17,18)(H2,19,20,21)/t8-,10?/m0/s1