N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester
기본 정보
- CAS
152548-66-8- 표준 SMILES
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)OC(C)(C)C)C(=O)O- InChIKey
CYWWLVIEAOUXGW-FQEVSTJZSA-N- 분자식
- C24H27NO6
- 평균 분자량
- 425.5 g/mol
이름 및 식별자
- 우선 이름
- N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester
- IUPAC
- (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- 영어명
- Fmoc-N-methyl-L-aspartic acid 4-tert-butyl ester
- 분자식
- C24H27NO6
- 분자량
- 425.48
이름 및 동의어
152548-66-8RefChem:828981N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester802-787-3Fmoc-N-Me-Asp(OtBu)-OHFmoc-MeAsp(OtBu)-OHfmoc-n-methyl-l-aspartic acid 4-tert-butyl esterMFCD00237027(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid(2S)-4-tert-butoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxo-butanoic acidFmoc-N-Me-L-Asp(OtBu)-OHFmoc-N-methyl-L-aspartic acid b-tert-butyl ester
이름 더 보기
FMOC-L-MEASP(TBU)-OHFmoc-L-NMe-Asp(OtBu)Fmoc-N-Me-Asp(OBu)-OHFMOC-N-ME-ASP(OBUT)-OHFmoc-N-Me-L-Asp（OtBu）-OHFmoc-N-Me-Asp(OtBu)-OH 97%
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acidN-Fmoc-N-methyl-L-aspartic Acid 4-tert-Butyl Ester(S)-2-[(9H-fluoren-9-ylmethoxycarbonyl)-methyl-amino]-succinic acid 4-tert-butyl esterAM84484SCHEMBL1759730SCHEMBL29401359SCHEMBL30191555CYWWLVIEAOUXGW-FQEVSTJZSA-N
데이터베이스 식별자
- CAS
152548-66-8- PubChem CID
- 7019716
- EC Number
- 802-787-3
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 649
물리화학적 성질
- 녹는점
- 135 · 135-140°C
- 끓는 점
- 598.7 · 598.7±50.0 °C(Predicted)
- 밀도
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 % · Soluble in water or 1% acetic acid
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.59 · 3.59±0.23(Predicted)
- 색상
- White to off-white
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-20(22(27)28)25(4)23(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t20-/m0/s1
- InChIKey
- CYWWLVIEAOUXGW-FQEVSTJZSA-N
- SMILES
- C(O)(=O)[C@H](CC(OC(C)(C)C)=O)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
화학적 성질
White to off-white solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
안전 데이터
- wgk
- 3
- HS 번호
- 2924 29 70
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Fmoc protected N-methyl amino acid suitable for solid phase peptide synthesis. N-methyl amino acids have been shown to improve proteolytic stability of peptides.
관련 반응
1건
화합물 노트
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