BOC-D-Phe-OSU - ≥97% , CAS No.3674-18-8

CAS: 3674-18-8 Cat. No.: B134946 分子式: C₁₈H₂₂N₂O₆ 分子量: 362.38 Beilstein Registry Number: 1555676 EC番号: 805-295-7

GRADE & PURITY ≥97%

Synonyms

SCHEMBL7060490 | (R)-2,5-dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate | 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoicacid | AS-73628 | (R)-2,5-Ddioxopyrrolidin-1-yl2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate | DTXSID60457430

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

SCHEMBL7060490 | (R)-2,5-dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate | 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoicacid | AS-73628 | (R)-2,5-Ddioxopyrrolidin-1-yl2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate | DTXSID60457430

仕様と純度

≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528763498

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528763498

カノニカル・スマイル

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

InChIKey

NHUCANAMPJGMQL-CYBMUJFWSA-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-/m1/s1

異性体SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O

分子量

362.38

Beilstein

1555676

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
    • 分類 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
• 分類: 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 Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds 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 - Lactam - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture Sensitive
• 分子量: 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