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7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid

7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid structure

CAS No:
26506-45-6
Formula:
C6H10N2O3S2
Chemical Name:
7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
Synonyms:
N,N'-cystyl-di-L-alanine; N-(2-Amino-3-((2-amino-3-((1-carboxyethyl)amino)-3-oxopropyl)dithio)propanoyl)alanine; L-Cystinyl-bis-L-alanin; L-cystine 1->2'-lactam; 2-[[2-amino-3-[[2-amino-3-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanoyl]amino]propanoic acid; cycl. Cysteinyl-cystein; (4R)-7c-amino-6-oxo-[1,2,5]dithiazocane-4r-carboxylic acid; N-L-cysteinyl-L-cysteine [1]->[2]-disulfide; Cysteinylcystin; L-Cystinyl-di-l-alanin; L-Cystin-bis-((S)-1-carboxy-aethylamid);Expand

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7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid Basic Attributes

Molecular Weight：

222.28500

Exact Mass：

222.01328453 g/mol

NSC Number：

118834

Characteristics

PSA：

143.02000

XLogP3：

0.30720

Density：

1.45g/cm3

Boiling Point：

567.9ºC at 760 mmHg

Flash Point：

297.2ºC

Refractive Index：

1.601

Vapor Pressure：

2.22E-14mmHg at 25°C

Computed Properties

Molecular Weight:222.3
XLogP3:-3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:222.01328453
Monoisotopic Mass:222.01328453
Topological Polar Surface Area:143
Heavy Atom Count:13
Complexity:224
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid

Basic Attributes
Characteristics
Computed Properties
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