(2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-3-yl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-3-yl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-trioxo-1,2,5-thiadiazolidin-3-yl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-trioxo-1,2,5-thiadiazolidin-3-yl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-trioxo-1,2,5-thiadiazolidin-3-yl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(3R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,1,4-triketo-1,2,5-thiadiazolidin-3-yl]amino]-3-methyl-butyric acid Formula: C16H21N3O7S MolecularWeight: 399.41884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1C(=O)NS(=O)(=O)N1CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N[C@H]1C(=O)NS(=O)(=O)N1CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21N3O7S/c1-9(2)13(16(21)22)17-14-15(20)18-27(23,24)19(14)8-10-3-4-11-12(7-10)26-6-5-25-11/h3-4,7,9,13-14,17H,5-6,8H2,1-2H3,(H,18,20)(H,21,22)/t13-,14+/m0/s1