(2S)-2-benzyl-3-{[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)phosphoryl}propanoic acid - Moligand™ , Inhibitor of Angiotensin-converting enzyme 2, CAS No.S609030, Inhibitor of Angiotensin-converting enzyme 2

CAS: S609030 Cat. No.: S609030 PubChem CID: 24827312
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
compound 28
Storage
Room temperature
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Size
Status
Price
Qty
5mg
S609030-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
S609030-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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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
compound 28
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of Angiotensin-converting enzyme 2
Names and Identifiers
Canonical SmilesCC(C[C@@H](C(=O)N1CCC[C@@H]1P(=O)(C[C@H](C(=O)O)Cc1ccccc1)O)NC(=O)C)C
IUPAC Name(2S)-2-benzyl-3-{[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)phosphoryl}propanoic acid
InChIKeyDGMLSHVZZKUDPN-AABGKKOBSA-N
INCHI1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,23,25)(H,27,28)(H,29,30)/t18-,19+,20+/m1/s1
Isomeric SMILES CC(C)C[C@@H](C(=O)N1CCC[C@@H]1P(=O)(C[C@@H](CC2=CC=CC=C2)C(=O)O)O)NC(=O)C
PubChem CID 24827312

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentLeucine and derivatives
Alternative Parents N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Phenylpropanoic acids  N-acylpyrrolidines  Benzene and substituted derivatives  Tertiary carboxylic acid amides  Acetamides  Secondary carboxylic acid amides  Azacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organonitrogen compounds  Organophosphorus compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Acetamide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organophosphorus compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACE2 Tchem Angiotensin-converting enzyme 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CPA1 Tchem Carboxypeptidase A1 (146 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACE2 Tchem Angiotensin-converting enzyme 2 (190 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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