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

Systemtic Name: 2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-bromo-propanoyl]amino]propanoic acid CAS Name: 2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-bromo-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-bromopropanoyl]amino]propanoic acid Traditional Name: 2-[[(2R)-3-(1,3-benzodioxol-5-yl)-2-(bromomethyl)propanoyl]amino]propionic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO5/c1-8(14(18)19)16-13(17)10(6-15)4-9-2-3-11-12(5-9)21-7-20-11/h2-3,5,8,10H,4,6-7H2,1H3,(H,16,17)(H,18,19)/t8?,10-/m0/s1