Z-Ile-Ile - ≥98% , CAS No.42538-01-2

CAS: 42538-01-2 Cat. No.: I121387 Formula: C₂₀H₃₀N₂O₅ Peso molecolare: 378.46 Numero EC: 255-876-9 PubChem CID: 6451893

GRADE & PURITY ≥98%

Synonyms

HY-W011054 | EINECS 255-876-9 | (2S,3S)-2-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-3-methylpentanoic acid | (2S,3S)-2-((2S,3S)-2-(((Benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-methylpentanoic acid | Z-Ile-Ile | Z-Ile-Ile-OH | (2S,3S)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

HY-W011054 | EINECS 255-876-9 | (2S,3S)-2-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-3-methylpentanoic acid | (2S,3S)-2-((2S,3S)-2-(((Benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-methylpentanoic acid | Z-Ile-Ile | Z-Ile-Ile-OH | (2S,3S)-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504764223

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764223

Sorrisi canonici

CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)OCC1=CC=CC=C1

IUPAC Name

(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid

InChIKey

QJJULDSUCQXEDB-OTRWWLKZSA-N

INCHI

1S/C20H30N2O5/c1-5-13(3)16(18(23)21-17(19(24)25)14(4)6-2)22-20(26)27-12-15-10-8-7-9-11-15/h7-11,13-14,16-17H,5-6,12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t13-,14-,16-,17-/m0/s1

Isomeri SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)OCC1=CC=CC=C1

WGK Germania

3

PubChem CID

6451893

Peso molecolare

378.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Isoleucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Benzyloxycarbonyls N-acyl amines Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Isoleucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This 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

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

Proprietà chimiche e fisiche

• Peso molecolare: 378.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 378.215 Da
• Monoisotopic Mass: 378.215 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 42538-01-2, the molecular formula is C20H30N2O5, and the molecular weight is 378.46 g/mol. InChIKey QJJULDSUCQXEDB-OTRWWLKZSA-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.