(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylpentanoic acid Traditional Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methyl-valeric acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H20N2O5/c1-3-9(2)13(14(18)19)17-15(20)16-10-4-5-11-12(8-10)22-7-6-21-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,18,19)(H2,16,17,20)/t9-,13-/m0/s1