D-Tryptophan benzyl ester - ≥98% , CAS No.141595-98-4

CAS: 141595-98-4 Cat. No.: D472869 Formula: C₁₈H₁₈N₂O₂ Molecular Weight: 294.35

GRADE & PURITY ≥98%

Synonyms

TYQYRKDGHAPZRF-MRXNPFEDSA-N | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate | (R)-Benzyl 2-amino-3-(1H-indol-3-yl)propanoate | 2-Amino-3-(1H-indol-3-yl)-propionic acid benzyl ester | D-Tryptophan benzyl ester | BDBM50154574 | D-Tryptophan, phenylmethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

TYQYRKDGHAPZRF-MRXNPFEDSA-N | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate | (R)-Benzyl 2-amino-3-(1H-indol-3-yl)propanoate | 2-Amino-3-(1H-indol-3-yl)-propionic acid benzyl ester | D-Tryptophan benzyl ester | BDBM50154574 | D-Tryptophan, phenylmethyl

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

504764462

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764462

Canonical Smiles

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N

IUPAC Name

benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate

InChIKey

TYQYRKDGHAPZRF-MRXNPFEDSA-N

INCHI

1S/C18H18N2O2/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17/h1-9,11,16,20H,10,12,19H2/t16-/m1/s1

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N

WGK Germany

3

Molecular Weight

294.35

Reaxy-Rn

491472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=491472&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 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Benzenoid - Substituted pyrrole - Fatty acyl - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Mechanisms of Action

Chemical and Physical Properties

• x_specific_rotation: [α]20/D −9.9°, c = 1 in ethanol
• x_melt_point_char: 77-80 °C
• Molecular Weight: 294.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 294.137 Da
• Monoisotopic Mass: 294.137 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 368.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Frequently Asked Questions

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.