(4S)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(1R)-3-(4-fluorophenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methy, Inhibitor of chymotrypsin C

CAS: S608915 Cat. No.: S608915 PubChem CID: 44338671
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 20
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S608915-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
S608915-25mg
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 20
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of chymotrypsin C
Names and Identifiers
Canonical SmilesOC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)N
InChIKeyJAXFJECJQZDFJS-XHEPKHHKSA-N
INCHI1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1
Isomeric SMILES B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CCC4=CC=C(C=C4)F)NC(=O)[C@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
PubChem CID 44338671

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.

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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 Peptides
Direct ParentOligopeptides
Alternative Parents Glutamic acid and derivatives  Aspartic acid and derivatives  Valine and derivatives  Proline and derivatives  N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Bicyclic monoterpenoids  Aromatic monoterpenoids  Pyrrolidinecarboxamides  N-acylpyrrolidines  Fluorobenzenes  Dicarboxylic acids and derivatives  Aryl fluorides  N-acyl amines  Dioxaborolanes  Tertiary carboxylic acid amides  Boronic acid esters  Amino acids  Secondary carboxylic acid amides  Oxacyclic compounds  Carboxylic acids  Organic metalloid salts  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Monoalkylamines  Monoalkylboranes  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-oligopeptide - Glutamic acid or derivatives - Aspartic acid or derivatives - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pinane monoterpenoid - Aromatic monoterpenoid - Nopinane monoterpenoid - Monoterpenoid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Halobenzene - Fluorobenzene - Aryl fluoride - N-acyl-amine - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Dicarboxylic acid or derivatives - Benzenoid - 1,3,2-dioxaborolane - Boronic acid ester - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Boronic acid derivative - Amino acid - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid - Alkylborane - Organooxygen compound - Carbonyl group - Primary amine - Amine - Monoalkylborane - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CTRC Tchem Chymotrypsin-C (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ELANE Tclin Neutrophil elastase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ELANE Tclin Leukocyte elastase (8173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTRC Tchem Chymotrypsin C (381 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
Reviews

Customer Reviews

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