N-(tert-Butoxycarbonyl)-DL-tryptophan - ≥98%(HPLC) , CAS No.112525-72-1

CAS: 112525-72-1 Cat. No.: N159063 Molecular Weight: 304.35

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-tert-Butyloxycarbonyl-L-tryptophan | EN300-154397 | N-tert-Butoxycarbonyl-D,L-tryptophan | N-tert-Butoxycarbonyl-L-tryptophan | NSC-334306 | AB02642 | NSC334306 | 2-tert-butoxycarbonylamino-3-(1H-indole-3-yl)propionic acid | AKOS016624114 | STK367969 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N-tert-Butyloxycarbonyl-L-tryptophan | EN300-154397 | N-tert-Butoxycarbonyl-D, L-tryptophan | N-tert-Butoxycarbonyl-L-tryptophan | NSC-334306 | AB02642 | NSC334306 | 2-tert-butoxycarbonylamino-3-(1H-indole-3-yl)propionic acid | AKOS016624114 | STK367969 |

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488189523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189523
• Canonical Smiles: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• IUPAC Name: 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: NFVNYBJCJGKVQK-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)
• Isomeric SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• Molecular Weight: 304.35
• Reaxy-Rn: 493747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=493747&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: 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

Chemical and Physical Properties

• Sensitivity: Air & light sensitive
• Molecular Weight: 304.340 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 304.142 Da
• Monoisotopic Mass: 304.142 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 419.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1