Boc-Bpa-OH - ≥98% , CAS No.104504-43-0

CAS: 104504-43-0 Cat. No.: B464181 분자식: C₂₁H₂₃NO₅ 분자량: 369.41 Beilstein Registry Number: 7256480

GRADE & PURITY ≥98%

Synonyms

Boc-L-4-Benzoylphenylalanine | PS-12873 | AKOS015836543 | AKOS015912005 | Boc-Bpa-OH | J-001186 | SCHEMBL5065660 | (S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid | Boc-p-Bz-Phe-OH | MFCD00151886 | (2S)-3-(4-benzoylphenyl)-2-[(2-methy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Boc-L-4-Benzoylphenylalanine | PS-12873 | AKOS015836543 | AKOS015912005 | Boc-Bpa-OH | J-001186 | SCHEMBL5065660 | (S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid | Boc-p-Bz-Phe-OH | MFCD00151886 | (2S)-3-(4-benzoylphenyl)-2-[(2-methy

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504764545

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764545

정식 스마일

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

IUPAC Name

(2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

HIQJNYPOWPXYIC-KRWDZBQOSA-N

INCHI

1S/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1

이성체 SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

WGK 독일

3

분자량

369.41

Beilstein

7256480

Reaxy-Rn

7256479

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7256479&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 Phenylalanine and derivatives

• 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: Phenylalanine and derivatives
• Alternative Parents: Benzophenones Diphenylmethanes Aryl-phenylketones Phenylpropanoic acids Amphetamines and derivatives Benzoyl derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Benzophenone - Aryl-phenylketone - Diphenylmethane - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ketone - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in DMSO
• 분자량: 369.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 369.158 Da
• Monoisotopic Mass: 369.158 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 525.000
• 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