BOC-Phe-OSU - ≥98%(HPLC) , CAS No.3674-06-4

CAS: 3674-06-4 Cat. No.: B137202 Fórmula: C₁₈H₂₂N₂O₆ Peso molecular: 362.38 Beilstein Registry Number: 715573 Número EC: 222-939-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate | (S)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate | DTXSID80190195 | MFCD00037911 | DS-16141 | (S)-2,5-dioxopyrrolidin-1-yl 2-(tert

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate | (S)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate | DTXSID80190195 | MFCD00037911 | DS-16141 | (S)-2,5-dioxopyrrolidin-1-yl 2-(tert

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C,cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 508810338
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
• InChIKey: NHUCANAMPJGMQL-ZDUSSCGKSA-N
• INCHI: 1S/C18H22N2O6/c1-18(2,3)25-17(24)19-13(11-12-7-5-4-6-8-12)16(23)26-20-14(21)9-10-15(20)22/h4-8,13H,9-11H2,1-3H3,(H,19,24)/t13-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• Peso molecular: 362.38
• Beilstein: 715573
• Reaxy-Rn: 1555675
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1555675&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
            • Level7 Phenylalanine 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 - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Amphetamines and derivatives Pyrrolidine-2-ones Dicarboximides Carbamate esters Organic carbonic acids and derivatives Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylalanine or derivatives - Amphetamine or derivatives - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Carbamic acid ester - Carboxylic acid salt - Lactam - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Sensibilidad: Moisture Sensitive
• Peso molecular: 362.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 362.148 Da
• Monoisotopic Mass: 362.148 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 547.000
• 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

Referencias

1. Jin Zhang, Shengzhen Hou, Yanru Chen, Jing Zhou, Hao Chen, Yebang Tan.  (2019)  Dual-cross-linked dynamic hydrogels with cucurbit[8]uril and imine linkages.  Soft Matter,  15  (47): (9797-9804).  [PMID:31746924] [10.1039/C9SM01597C]

2. Yuan-Fu Ding, Tianlei Sun, Shengke Li, Qiaoxian Huang, Ludan Yue, Liangkui Zhu, Ruibing Wang.  (2019)  Oral Colon-Targeted Konjac Glucomannan Hydrogel Constructed through Noncovalent Cross-Linking by Cucurbit[8]uril for Ulcerative Colitis Therapy.  ACS Applied Bio Materials,      [PMID:35019421] [10.1021/acsabm.9b00676]