(2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-methyl-pentanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1COC2=CC=CC=C2O1

InChI

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