Boc-L-Val-ONp - ≥97% , CAS No.16948-40-6

CAS: 16948-40-6 Cat. No.: B357010 분자식: C₁₆H₂₂N₂O₆ 분자량: 338.36

GRADE & PURITY ≥97%

Synonyms

AKOS016003498 | N-alpha-t-Butyloxycarbonyl-L-valine p-nitrophenyl ester (Boc-L-Val-ONp) | Boc-Val-ONp | DTXSID60427032 | (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate | Boc-L-Valine 4-nitrophenyl ester | (S)-4-nitrophenyl 2-(tert-buto

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

AKOS016003498 | N-alpha-t-Butyloxycarbonyl-L-valine p-nitrophenyl ester (Boc-L-Val-ONp) | Boc-Val-ONp | DTXSID60427032 | (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate | Boc-L-Valine 4-nitrophenyl ester | (S)-4-nitrophenyl 2-(tert-buto

사양 및 순도

≥97%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

Pubchem Sid

504764587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764587

정식 스마일

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

IUPAC Name

(4-nitrophenyl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

InChIKey

ALJZEMRUAOJSPP-ZDUSSCGKSA-N

INCHI

1S/C16H22N2O6/c1-10(2)13(17-15(20)24-16(3,4)5)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-10,13H,1-5H3,(H,17,20)/t13-/m0/s1

이성체 SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

분자량

338.36

Reaxy-Rn

4002777

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4002777&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Valine and derivatives Phenol esters Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Valine or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

화학 및 물리적 특성

• 녹는점(°C): 67° C
• 분자량: 338.360 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 338.148 Da
• Monoisotopic Mass: 338.148 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 458.000
• 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