7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid
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![7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d6cba2329d3a4e99b06b0efb4bea3ecc.png "7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid")
7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid
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CAS No:
32214-49-6
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Formula:
C23H20N4O9S2
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Chemical Name:
7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid
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Synonyms:
trichochrome C;trichochrome E of trichochrome C;trichochrome F of trichochrome C;Trichochrome C;32214-49-6;alpha-Amino-2-(7-(2-amino-2-carboxyethyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-ylidene)-3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzothiazine- 7-propanoic acid
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CAS No:
7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid Basic Attributes
560.6 g/mol
560.06717058 g/mol
Computed Properties
Molecular Weight:560.6
XLogP3:-5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:560.06717058
Monoisotopic Mass:560.06717058
Topological Polar Surface Area:297
Heavy Atom Count:38
Complexity:1260
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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