Nα-(tert-Butoxycarbonyl)-L-tryptophan N-Succinimidyl Ester - ≥98% , CAS No.3392-11-8

CAS: 3392-11-8 Cat. No.: N159544 Molecular Weight: 401.42

GRADE & PURITY ≥98%

Synonyms

EINECS 222-234-4 | N(ALPHA)-(TERT-BUTOXYCARBONYL)-L-TRYPTOPHAN N-HYDROXYSUCCINIMIDE ESTER | 2,5-dioxopyrrolidin-1-yl n-(tert-butoxycarbonyl)-l-tryptophanate | J-019383 | MFCD00022756 | (2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 222-234-4 | N(ALPHA)-(TERT-BUTOXYCARBONYL)-L-TRYPTOPHAN N-HYDROXYSUCCINIMIDE ESTER | 2, 5-dioxopyrrolidin-1-yl n-(tert-butoxycarbonyl)-l-tryptophanate | J-019383 | MFCD00022756 | (2, 5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504756419
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756419
• Canonical Smiles: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)ON3C(=O)CCC3=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• InChIKey: CPJXMXQYRHNIFU-HNNXBMFYSA-N
• INCHI: 1S/C20H23N3O6/c1-20(2,3)28-19(27)22-15(18(26)29-23-16(24)8-9-17(23)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,8-10H2,1-3H3,(H,22,27)/t15-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)ON3C(=O)CCC3=O
• Molecular Weight: 401.42
• Reaxy-Rn: 462939
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=462939&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Alpha amino acids and derivatives Substituted pyrroles Pyrrolidine-2-ones Benzenoids Carbamate esters Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Benzenoid - Dicarboximide - Pyrrole - Pyrrolidine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Lactam - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 141-148 ℃
• Molecular Weight: 401.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 401.159 Da
• Monoisotopic Mass: 401.159 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 658.000
• 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