Boc-D-Trp(For)-OH - ≥98% , CAS No.64905-10-8

CAS: 64905-10-8 Cat. No.: B356816 Formule: C₁₆H₂₃NO₅ Poids moléculaire: 309.36

GRADE & PURITY ≥98%

Synonyms

IHXHBYFWSOYYTR-CYBMUJFWSA-N | (R)-2-((tert-Butoxycarbonyl)amino)-3-(1-formyl-1H-indol-3-yl)propanoic acid | (R)-2-(tert-butoxycarbonylamino)-3-(1-formyl-1H-indol-3-yl)propanoic acid | MFCD00038004 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(1-formyl-1H-indol-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

IHXHBYFWSOYYTR-CYBMUJFWSA-N | (R)-2-((tert-Butoxycarbonyl)amino)-3-(1-formyl-1H-indol-3-yl)propanoic acid | (R)-2-(tert-butoxycarbonylamino)-3-(1-formyl-1H-indol-3-yl)propanoic acid | MFCD00038004 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(1-formyl-1H-indol-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488196160

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196160

Sourires canoniques

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C=O)C(=O)O

IUPAC Name

(2R)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

IHXHBYFWSOYYTR-CYBMUJFWSA-N

INCHI

1S/C17H20N2O5/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22)/t13-/m1/s1

Isomères SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)O

Poids moléculaire

309.36

Reaxy-Rn

444240

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=444240&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: Alpha amino acids and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Substituted pyrrole - Benzenoid - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 332.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 332.137 Da
• Monoisotopic Mass: 332.137 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 488.000
• 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