Angiotensin Converting Enzyme Inhibitor - ≥95%(HPLC) , CAS No.35115-60-7

CAS: 35115-60-7 Cat. No.: A118761 Molecular Weight: 1101.26

GRADE & PURITY ≥95%(HPLC)

Synonyms

C3E5QBF1R6 | SO 20881 | 5-Oxo-L-prolyl-L-tryptophyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-L-proline | SQ 20881 | DTXSID301029698 | SCHEMBL613757 | TEPROTIDE | AC1L9EJT | Angiotensin Converting Enzyme Inhibitor, >=95% (TLC) | Pyr-Tr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Amino Acid Sequence:Glp-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro

Specifications

Synonyms

C3E5QBF1R6 | SO 20881 | 5-Oxo-L-prolyl-L-tryptophyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-L-proline | SQ 20881 | DTXSID301029698 | SCHEMBL613757 | TEPROTIDE | AC1L9EJT | Angiotensin Converting Enzyme Inhibitor, >=95% (TLC) | Pyr-Tr

Specifications & Purity

≥95%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504758801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758801
• Canonical Smiles: CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C4CCCN4C(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCC(=O)N7
• IUPAC Name: (2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
• InChIKey: UUUHXMGGBIUAPW-CSCXCSGISA-N
• INCHI: 1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCC(=O)N7
• WGK Germany: 3
• Molecular Weight: 1101.26
• Reaxy-Rn: 25864449
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25864449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Glutamine and derivatives Isoleucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Pyrrolidinecarboxamides Pyrrolidine carboxylic acids N-acylpyrrolidines Substituted pyrroles Benzenoids Pyrrolidine-2-ones N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Guanidines Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Glutamine or derivatives - Isoleucine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Fatty amide - N-acyl-amine - Fatty acyl - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboximidamide - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This 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: peptide

Data sources

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 1101.300 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 24
• Exact Mass: 1100.58 Da
• Monoisotopic Mass: 1100.58 Da
• Topological Polar Surface Area: 387.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yan-Li Zhu, Yan-Mei Lian, Ji-Kai Wang, Zeng-Ping Chen, Ru-Qin Yu.  (2020)  Ultrasensitive detection of protein biomarkers by MALDI-TOF mass spectrometry based on ZnFe2O4 nanoparticles and mass tagging signal amplification.  TALANTA,      [PMID:33379064] [10.1016/j.talanta.2020.121848]