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N,N′-Dibenzoyl-L-cystine - 97%, high purity , CAS No.25129-20-8

COA

Grade & Purity:

≥97%

Cas Number: 25129-20-8
Molecular Weight: 448.51
PubChem CID: 13479156
PubChem SID: 504767417

In stock

Item Number

N351952

Grouped product items
SKU	Size	Availability	Price
N351952-1g	1g	3	$23.90
N351952-5g	5g	3	$90.90
N351952-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$406.90

a chiral modifier of LiBH4 for enantioselective reductions

Basic Description

Synonyms	J-015823 \| L-Cystine, N,N'-dibenzoyl- \| (2R)-3-{[(2R)-2-CARBOXY-2-(PHENYLFORMAMIDO)ETHYL]DISULFANYL}-2-(PHENYLFORMAMIDO)PROPANOIC ACID \| N,N'-Dibenzoyl-L-cystine \| AKOS037645233 \| N,N'-Dibenzoylcystin \| AS-58944 \| (2R,2'R)-3,3'-Disulfanediylbis(2-benzamid
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Product Description N,N'-Dibenzoyl-L-cystine chiral modifier of LiBH4 for enantioselective reductions of heteroaromatic , aromatic, and unsaturated ketones to alcohols. Product Application Reactant involved in: Synthesis of integrin antagonists Dissipative self-assembly of molecular gelator using chemical fuel Synthesis of crosslinkable hydrogel for proliferation of encapsulated human derm fibroblast Analysis for use as metallo-β-lactamase inhibitors Amplification of bifunctional disulfide ligands for calmodulin

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids Cysteine and derivatives Benzoyl derivatives Dicarboxylic acids and derivatives Secondary carboxylic acid amides Dialkyldisulfides Sulfenyl compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Carboxamide group - Dialkyldisulfide - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504767417
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767417
IUPAC Name	(2R)-2-benzamido-3-[[(2R)-2-benzamido-2-carboxyethyl]disulfanyl]propanoic acid
INCHI	InChI=1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t15-,16-/m0/s1
InChIKey	GUTXMPQWQSOAIY-HOTGVXAUSA-N
Smiles	C1=CC=C(C=C1)C(=O)NC(CSSCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O
Molecular Weight	448.51
Reaxy-Rn	2068209
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2068209&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
F2215042	Certificate of Analysis	Mar 04, 2025	N351952
F2215047	Certificate of Analysis	Mar 04, 2025	N351952
F2215043	Certificate of Analysis	Mar 04, 2025	N351952
L2431026	Certificate of Analysis	May 23, 2022	N351952

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Specific Rotation[α]	[α]20/D −215±8°, c = 1% in ethanol
Melt Point(°C)	195-200 °C (dec.)
Molecular Weight	448.500 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	448.076 Da
Monoisotopic Mass	448.076 Da
Topological Polar Surface Area	183.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	554.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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