(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-methyl-valerate Formula: C15H18NO5- MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H19NO5/c1-3-9(2)13(15(18)19)16-14(17)10-4-5-11-12(8-10)21-7-6-20-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,16,17)(H,18,19)/p-1/t9-,13-/m0/s1