BOC-알파-메틸-L-PHE
(R)-2-((tert-Butoxycarbonyl)amino)-2-methyl-3-phenylpropanoic acid
기본 정보
- CAS
111771-58-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)O- InChIKey
FAXPKABRZLISKX-OAHLLOKOSA-N- 분자식
- C15H21NO4
- 평균 분자량
- 279.33 g/mol
- 단동위원소 질량
- 279.14705815
이름 및 식별자
- 우선 이름
- (R)-2-((tert-Butoxycarbonyl)amino)-2-methyl-3-phenylpropanoic acid
- IUPAC
- (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
- 현지명
- BOC-알파-메틸-L-PHE
- 영어명
- Boc-alpha-methyl-L-Phe
- 분자식
- C15H21NO4
- 분자량
- 279.33
이름 및 동의어
Boc-alpha-methyl-D-Phe(R)-2-((tert-Butoxycarbonyl)amino)-2-methyl-3-phenylpropanoic acid111771-58-5Boc-alpha-methyl-D-phenylalanine53940-88-8MFCD02682673(R)-N-Boc-2-benzylalanine(R)-2-[(tert-Butoxycarbonyl)amino]-2-methyl-3-phenylpropionic acid(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acidN-(tert-butoxycarbonyl)-alpha-methyl-D-phenylalanine(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-methyl-3-phenylpropanoic acidBoc-a-methyl-D-phenylalanine
이름 더 보기
BOC-알파-메틸-L-PHEBoc-α-Me-Phe-OHBoc-α-Me-D-Phe-OHBoc-alphaMe-L-Phe-OHBOC-ALPHA-BENZYL-L-ALABoc-alpha-methyl-L-PheBoc-α-methyl-L-phenylalanineN-BOC-A-METHYL-L-PHENYLALANINEBOC-ALPHA-METHYL-L-PHENYLALANINE
Boc-a-methyl-L-phenylalanineMFCD02682284Boc-alpha-Me-Phe-OHBoc-D-alpha-Me-Phe-OH(2R)-2-[(tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropanoic acidSCHEMBL1552723N-[(1,1-Dimethylethoxy)carbonyl]-a-methyl-L-phenylalanineFAXPKABRZLISKX-OAHLLOKOSA-N
데이터베이스 식별자
- CAS
111771-58-5- PubChem CID
- 11140456
- DTXSID
DTXSID601197242
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 355
물리화학적 성질
- 끓는 점
- 432.1 · 432.1±38.0 °C(Predicted)
- 밀도
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.92 · 3.92±0.11(Predicted)
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29225090
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도Boc-α-methyl-L-phenylalanine was a useful reagent in discovery of oxadiazoyl tertiary carbinamine inhibitors of β-secretase (BACE-1). It was also used in the study for strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
관련 반응
2건
화합물 노트
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