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

Systemtic Name: methyl 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]butanoate Openeye Name: methyl 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]butyric acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7S/c1-12(2)17(18(22)19-8-4-5-16(21)25-3)20-28(23,24)13-6-7-14-15(11-13)27-10-9-26-14/h6-7,11-12,17,20H,4-5,8-10H2,1-3H3,(H,19,22)/t17-/m0/s1