(4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-o

Name: (4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-o
SKU: S609196
Availability: InStock

CAS: S609196 Cat. No.: S609196 PubChem CID: 66560533

Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）ソリューション計算機レビューよくある質問

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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

同義語

compound 3

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

カノニカル・スマイル	OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C
IUPAC Name	(4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
InChIKey	XGNIOZCAZTWXMZ-WCHFFXHOSA-N
INCHI	1S/C52H68N8O15S/c1-31(2)27-40(49(69)57-39(23-25-45(64)65)48(68)56-38(22-24-44(62)63)47(67)54-33(5)46(53)66)55-43(61)29-60(76(73,74)37-20-18-36(19-21-37)35-15-10-7-11-16-35)51(71)41(28-32(3)4)58-50(70)42-17-12-26-59(42)52(72)75-30-34-13-8-6-9-14-34/h6-11,13-16,18-21,31-33,38-42H,12,17,22-30H2,1-5H3,(H2,53,66)(H,54,67)(H,55,61)(H,56,68)(H,57,69)(H,58,70)(H,62,63)(H,64,65)/t33-,38-,39-,40-,41-,42-/m0/s1
異性体SMILES	C[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4
PubChem CID	66560533

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

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 分類 Peptidomimetics
    - Subclass Peptoid-peptide hybrids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
分類	Peptidomimetics
Subclass	Peptoid-peptide hybrids
Intermediate Tree Nodes	Not available
Direct Parent	Peptoid-peptide hybrids
Alternative Parents	Glutamic acid and derivatives Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Alpha amino acid amides Alanine and derivatives Benzyloxycarbonyls Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Dicarboxylic acids and derivatives N-acyl amines Organosulfonic acids and derivatives Carbamate esters Aminosulfonyl compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organic carbonic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Peptoid/peptide hybrid - Glutamic acid or derivatives - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Biphenyl - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzyloxycarbonyl - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carbamic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.
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

3 D構造

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レビュー

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is S609196. InChIKey XGNIOZCAZTWXMZ-WCHFFXHOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

(4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-o

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

顧客レビュー

よくある質問

Need help choosing the grade?