methyl 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]heptanoate

Systemtic Name: methyl 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]heptanoate Openeye Name: methyl 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]heptanoate CAS Name: 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]heptanoate Traditional Name: 7-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]enanthic acid methyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O7S/c1-15(2)20(21(25)22-11-7-5-4-6-8-19(24)28-3)23-31(26,27)16-9-10-17-18(14-16)30-13-12-29-17/h9-10,14-15,20,23H,4-8,11-13H2,1-3H3,(H,22,25)/t20-/m0/s1