N-(tert-Butoxycarbonyl)-O-benzyl-L-serine N-Succinimidyl Ester - ≥98%(N) , CAS No.13650-73-2

CAS: 13650-73-2 Cat. No.: N159542 Peso molecular: 392.41 Beilstein Registry Number: 21(5)9,530 Número EC: 690-493-4

GRADE & PURITY ≥98%(N)

Synonyms

['N', '-Boc-', 'O', '-benzyl-', 'L', '-serine ', 'N', '-Succinimidyl Ester', 'Boc-Ser(Bzl)-OSu']

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

['N', '-Boc-', 'O', '-benzyl-', 'L', '-serine ', 'N', '-Succinimidyl Ester', 'Boc-Ser(Bzl)-OSu']

Especificaciones y pureza

≥98%(N)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(N)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
• InChIKey: NTFYOALQRQBBDG-AWEZNQCLSA-N
• INCHI: 1S/C19H24N2O7/c1-19(2,3)27-18(25)20-14(12-26-11-13-7-5-4-6-8-13)17(24)28-21-15(22)9-10-16(21)23/h4-8,14H,9-12H2,1-3H3,(H,20,25)/t14-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• Peso molecular: 392.41
• Beilstein: 21(5)9,530
• Reaxy-Rn: 1516319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1516319&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzylethers Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzylether - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propiedades químicas y físicas

• Peso molecular: 392.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 392.158 Da
• Monoisotopic Mass: 392.158 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 578.000
• 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