CAS 82317-83-7 N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine (HCID 2736198)

기본 정보

CAS: 82317-83-7
표준 SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O
InChIKey: SMVCCWNHCHCWAZ-LLVKDONJSA-N
분자식: C15H18F3NO4
평균 분자량: 333.3 g/mol
단동위원소 질량: 333.11879254

이름 및 식별자

우선 이름: N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine
IUPAC: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
영어명: BOC-D-4-Trifluoromethylphe
분자식: C15H18F3NO4
분자량: 333.3

이름 및 동의어

82317-83-7N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanineN-((1,1-Dimethylethoxy)carbonyl)-4-(trifluoromethyl)-D-phenylalanineRefChem:359493Boc-4-(trifluoromethyl)-D-phenylalanine(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acidBoc-4-Trifluoromethyl-D-PhenylalanineBOC-D-4-TRIFLUOROMETHYLPHEBoc-D-Phe(4-CF3)-OHMFCD00797557(2R)-2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic acid

이름 더 보기

Boc-D<BOC-D-4-CF3-PHEBOC-D-PHE(P-CF3)-OHRARECHEM BK PT 0143Boc-D-4-Trifluoromethyl-phe-OHBOC-D-PHE(4-TRIFLUOROMETHYL)-OHBOC-D-4-TRIFLUOROMETHYLPHENYLALANINE

(R)-2-[(tert-Butoxycarbonyl)amino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid(2R)-2-[(tert-butoxycarbonyl)amino]-3-[4-(trifluoromethyl)phenyl]propanoic acidD-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-Boc-D-Phe(4-CF?)-OHSCHEMBL3556235SBB064602AKOS015890209AC-9981

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 23
형식 전하: 0
복잡도: 423

물리화학적 성질

녹는점: 135 · 135-140°C
끓는 점: 431.4 · 431.4±45.0 °C(Predicted)
밀도: 1.271 · 1.271±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 3.76 · 3.76±0.10(Predicted)

화학적 성질

White powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2924297099
hazard_code: Xi
위험 등급: IRRITANT
위험 참고 사항: Harmful/Irritant/Keep Cold

화학 및 산업

공급사84 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

화합물 노트

불러오는 중…

N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine