2-[(3S)-3-[[1-[(2R)-1-ethoxy-1-oxo-5-phenylpentan-2-yl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid , Endothelin-converting enzyme 1 inhibitor, CAS No.134129855, Endothelin-converting enzyme 1 inhibitor

CAS: 134129855 Cat. No.: S671334 Molecular Weight: 534.6 PubChem CID: 134129855
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Synonyms
CHEMBL3989794
Storage
Room temperature
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Size
Status
Price
Qty
1mg
S671334-1mg
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Why this grade

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
CHEMBL3989794
Storage
Room temperature
Action Type
INHIBITOR
Mechanism of action
Endothelin-converting enzyme 1 inhibitor
Product Properties
ALogP5.1
Names and Identifiers
Canonical SmilesCCOC(=O)C(CCCC1=CC=CC=C1)C2(CCCC2)C(=O)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O
IUPAC Name2-[(3S)-3-[[1-[(2R)-1-ethoxy-1-oxo-5-phenylpentan-2-yl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
InChIKeyFVWPYVZWVOLAOP-DQEYMECFSA-N
INCHI1S/C31H38N2O6/c1-2-39-29(37)24(15-10-13-22-11-4-3-5-12-22)31(19-8-9-20-31)30(38)32-25-18-17-23-14-6-7-16-26(23)33(28(25)36)21-27(34)35/h3-7,11-12,14,16,24-25H,2,8-10,13,15,17-21H2,1H3,(H,32,38)(H,34,35)/t24-,25-/m0/s1
Isomeric SMILES CCOC(=O)[C@H](CCCC1=CC=CC=C1)C2(CCCC2)C(=O)N[C@H]3CCC4=CC=CC=C4N(C3=O)CC(=O)O
PubChem CID 134129855
Molecular Weight 534.6

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 Peptides
Direct ParentDipeptides
Alternative Parents N-acyl-alpha amino acids  Alpha amino acid amides  Benzazepines  Fatty acid esters  Azepines  N-acyl amines  Dicarboxylic acids and derivatives  Benzene and substituted derivatives  Tertiary carboxylic acid amides  Lactams  Carboxylic acid esters  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Benzazepine - Alpha-amino acid or derivatives - Fatty acid ester - Azepine - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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