7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-carboxy-5-oxidanyl-2H-1,4-benzothiazin-2-yl]-5-oxidanyl-2H-1,4-benzothiazine-3-carboxylic acid

Systemtic Name: 7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-carboxy-5-oxidanyl-2H-1,4-benzothiazin-2-yl]-5-oxidanyl-2H-1,4-benzothiazine-3-carboxylic acid Openeye Name: 7-(2-amino-3-hydroxy-3-oxo-propyl)-2-[7-(2-amino-3-hydroxy-3-oxo-propyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-yl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid CAS Name: 7-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-yl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid IUPAC Name: 7-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-yl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Traditional Name: 7-(2-amino-3-hydroxy-3-keto-propyl)-2-[7-(2-amino-3-hydroxy-3-keto-propyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-yl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Formula: C24H22N4O10S2 MolecularWeight: 590.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1O)N=C(C(S2)C3C(=NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=O)O)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C2C(=C1O)N=C(C(S2)C3C(=NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=O)O)C(=O)O)CC(C(=O)O)N

InChI

InChI=1S/C24H22N4O10S2/c25-9(21(31)32)1-7-3-11(29)15-13(5-7)39-19(17(27-15)23(35)36)20-18(24(37)38)28-16-12(30)4-8(6-14(16)40-20)2-10(26)22(33)34/h3-6,9-10,19-20,29-30H,1-2,25-26H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)