N-Boc-L-페닐알라닌 - ≥97% , CAS No.72155-45-4

CAS: 72155-45-4 Cat. No.: B102427 분자식: C₁₄H₁₉NO₃ 분자량: 249.31 EC 번호: 675-936-1

등급 & 순도 ≥97%

Synonyms

Boc-Fmk(3S)-OH | 2(S)-(tert-Butoxycarbonylamino)-3-phenylpropionaldehyde | BDBM50137818 | N-Boc-phenylalaninal | AKOS015841411 | Boc-L-Phe-PAM resin (100-200 mesh) | DIOSPHENOL [MI] | Boc-L-phenylalanine Merrifield resin Grain size 100-200 mesh, Substitut

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

효소 억제 특성을 갖는 히드록시 에틸렌 디펩타이드 이소스테인의 합성을 위한 중간체

사양

동의어

Boc-Fmk(3S)-OH | 2(S)-(tert-Butoxycarbonylamino)-3-phenylpropionaldehyde | BDBM50137818 | N-Boc-phenylalaninal | AKOS015841411 | Boc-L-Phe-PAM resin (100-200 mesh) | DIOSPHENOL [MI] | Boc-L-phenylalanine Merrifield resin Grain size 100-200 mesh, Substitut

사양 및 순도

≥97%

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥97%

이름과 식별자

Pubchem Sid

504764466

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764466

정식 스마일

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

IUPAC Name

tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate

InChIKey

ZJTYRNPLVNMVPQ-LBPRGKRZSA-N

INCHI

1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1

이성체 SMILES

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

WGK 독일

3

분자량

249.31

Reaxy-Rn

2116718

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

관련 대상(인간)

CTSK Tchem Cathepsin K (1 Activities)

Discover Target: CTSK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 86-88°C
• 분자량: 249.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.136 Da
• Monoisotopic Mass: 249.136 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• 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