methyl 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]hexanoate Openeye Name: methyl 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]hexanoate CAS Name: 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]hexanoic acid methyl ester Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCCCC(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCCCC(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C20H30N2O7S/c1-14(2)19(20(24)21-10-6-4-5-7-18(23)27-3)22-30(25,26)15-8-9-16-17(13-15)29-12-11-28-16/h8-9,13-14,19,22H,4-7,10-12H2,1-3H3,(H,21,24)/t19-/m0/s1