2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid - Moligand™ , Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase M;Inhibitor of Carboxypeptidase N; polypeptide 1, C, Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase M;Inhibitor of Carboxypeptidase N; polypeptide 1

CAS: D609183 Cat. No.: D609183 PubChem CID: 123726
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
DL-2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYL)THIOPROPANOIC ACID | GTPL8675 | 2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYLTHIO)PROPIONIC ACID, (+/-)- | X8EOD1X17Q | Propanoic acid, 3-((2-((aminoiminomethyl)amino)ethyl)thio)-2-(mercaptomethyl)-, (+-)- | SCHEMBL20787654
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
D609183-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,400.90
Save $258.00 (18.42%)
25mg
D609183-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,000.90
Save $286.00 (14.29%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DL-2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYL)THIOPROPANOIC ACID | GTPL8675 | 2-(MERCAPTOMETHYL)-3-(GUANIDINOETHYLTHIO)PROPIONIC ACID, (+/-)- | X8EOD1X17Q | Propanoic acid, 3-((2-((aminoiminomethyl)amino)ethyl)thio)-2-(mercaptomethyl)-, (+-)- | SCHEMBL20787654
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase M;Inhibitor of Carboxypeptidase N; polypeptide 1
Names and Identifiers
Canonical SmilesSCC(C(=O)O)CSCCN=C(N)N
IUPAC Name2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid
InChIKeyAKPKWZRKZOAAAZ-UHFFFAOYSA-N
INCHI1S/C7H15N3O2S2/c8-7(9)10-1-2-14-4-5(3-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
Isomeric SMILES C(CSCC(CS)C(=O)O)N=C(N)N
PubChem CID 123726

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Not available
Direct ParentBranched fatty acids
Alternative Parents Guanidines  Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Dialkylthioethers  Carboxylic acids  Carboximidamides  Alkylthiols  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Branched fatty acid - Guanidine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CPN1 Tchem Carboxypeptidase N catalytic chain (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CPB2 Tchem Carboxypeptidase B2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CPB1 Tchem Carboxypeptidase B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CPM Tchem Carboxypeptidase M (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight237.300 g/mol
XLogP3-0.900
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass237.061 Da
Monoisotopic Mass237.061 Da
Topological Polar Surface Area128.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity207.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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