Ac-Trp-OMe - ≥98% , CAS No.2824-57-9

CAS: 2824-57-9 Cat. No.: A183414 Fórmula: C₁₄H₁₆N₂O₃ Peso molecular: 260.3

GRADE & PURITY ≥98%

Synonyms

D97613 | SCHEMBL468840 | XZECNVJPYDPBAM-ZDUSSCGKSA-N | Ac-L-Trp-OMe | (S)-Methyl 2-acetamido-3-(1H-indol-3-yl)propanoate | Anovlar | Methyl L-N-acetyltryptophanate | N.ALPHA.-ACETYL-L-TRYPTOPHAN METHYL ESTER | AS-63456 | DTXSID70950962 | N-[3-(1H-Indol-3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

D97613 | SCHEMBL468840 | XZECNVJPYDPBAM-ZDUSSCGKSA-N | Ac-L-Trp-OMe | (S)-Methyl 2-acetamido-3-(1H-indol-3-yl)propanoate | Anovlar | Methyl L-N-acetyltryptophanate | N.ALPHA.-ACETYL-L-TRYPTOPHAN METHYL ESTER | AS-63456 | DTXSID70950962 | N-[3-(1H-Indol-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

IUPAC Name

methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

InChIKey

XZECNVJPYDPBAM-ZDUSSCGKSA-N

INCHI

1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17)/t13-/m0/s1

Isómeros SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC

Peso molecular

260.3

Reaxy-Rn

90397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=90397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid esters Indolyl carboxylic acids and derivatives 3-alkylindoles Fatty acid esters Substituted pyrroles Benzenoids Acetamides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Substituted pyrrole - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Acetamide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Peso molecular: 260.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 260.116 Da
• Monoisotopic Mass: 260.116 Da
• Topological Polar Surface Area: 71.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 346.000
• 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