N-benciloxicarbonil-O-bencil-L-serina - ≥95% , CAS No.20806-43-3

CAS: 20806-43-3 Cat. No.: N135795 Peso molecular: 329.35 Número EC: 244-049-8

GRADE & PURITY ≥95%

Synonyms

J-300248 | DTXSID60197622 | CARBOBENZOXI-O-BENZIL-L-SERINA | N-[(fenilmetoxi)carbonil]-O-(fenilmetil)-L-serina | Ácido (2S)-3-(benciloxi)-2-{[(benciloxi)carbonil]amino}propanoico | Carbobenciloxi-O-bencil-L-serina | Cbz-Ser(Bzl)-OH | O-(fenilmetil)-N-

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

A Z-amino acid

Specifications

Sinónimos

J-300248 | DTXSID60197622 | CARBOBENZOXI-O-BENZIL-L-SERINA | N-[(fenilmetoxi)carbonil]-O-(fenilmetil)-L-serina | Ácido (2S)-3-(benciloxi)-2-{[(benciloxi)carbonil]amino}propanoico | Carbobenciloxi-O-bencil-L-serina | Cbz-Ser(Bzl)-OH | O-(fenilmetil)-N-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COCC(C(=O)O)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: (2S)-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoic acid
• InChIKey: CYYRLHUAMWRBHC-INIZCTEOSA-N
• INCHI: 1S/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
• Peso molecular: 329.35
• Reaxy-Rn: 2302653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2302653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Benzylethers Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzylether - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

• Peso molecular: 329.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 329.126 Da
• Monoisotopic Mass: 329.126 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 389.000
• 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