2-azanyl-3-[2,2-dimethyl-3,5-bis(oxidanyl)-3,4-dihydro-1,4-benzothiazin-7-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,2-dimethyl-3,5-bis(oxidanyl)-3,4-dihydro-1,4-benzothiazin-7-yl]propanoic acid Openeye Name: 2-amino-3-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-7-yl)propanoic acid CAS Name: 2-amino-3-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-7-yl)propanoic acid IUPAC Name: 2-amino-3-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-7-yl)propanoic acid Traditional Name: 2-amino-3-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-7-yl)propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)O)C

Isomeric SMILES

CC1(C(NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)O)C

InChI

InChI=1S/C13H18N2O4S/c1-13(2)12(19)15-10-8(16)4-6(5-9(10)20-13)3-7(14)11(17)18/h4-5,7,12,15-16,19H,3,14H2,1-2H3,(H,17,18)