(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
기본 정보
- CAS
84000-11-3- 표준 SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
YCXXXPZNQXXRIG-IBGZPJMESA-N- 분자식
- C21H23NO4
- 평균 분자량
- 353.4 g/mol
- 단동위원소 질량
- 353.16270821
이름 및 식별자
- 우선 이름
- (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
- IUPAC
- (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
- 영어명
- Fmoc-N-Me-Val-OH
- 분자식
- C21H23NO4
- 분자량
- 353.41
이름 및 동의어
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-methylbutanoic acidN-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acidN-((9H-Fluoren-9-ylmethoxy)carbonyl)-N-methyl-L-valineRefChem:397879807-805-3Fmoc-N-Me-Val-OH84000-11-3Fmoc-N-methyl-L-valineFmoc-MeVal-OHMFCD00153395N-Fmoc-N-methyl-L-valine
이름 더 보기
Fmoc-NaLFMOC-N-ALPHA-METHYL-L-VALINEFMOC-L-MEVAL-OHFMOC-N-ME-VALINEFMOC-N-ME-VAL 98.5+%
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acidN-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-valine(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acidM03379AS-19173Fmoc-N-Me-L-Val-OHN-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N-methyl-L-valine(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methyl-butanoic acid
데이터베이스 식별자
- CAS
84000-11-3- PubChem CID
- 978328
- DTXSID
DTXSID30359654- EC Number
- 807-805-3
- Nikkaji
- J1.753.291J
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 498
물리화학적 성질
- 녹는점
- 187 · 187-190 °C
- 끓는 점
- 527.6 · 527.6±29.0 °C(Predicted)
- 밀도
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 산도 계수 (pKa)
- 3.92 · 3.92±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 물과 디메틸 포름아미드에 약간 용해됩니다.
- BRN
- 4560212 · 4560212
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1
- InChIKey
- YCXXXPZNQXXRIG-IBGZPJMESA-N
- SMILES
- C(O)(=O)[C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
화학적 성질
White to off-white powder
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 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesSkin Irrit. 2 (33.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 2924297099
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도N-Fmoc-N-methyl-L-valine (Fmoc-N-Me-Val-OH) is used as enzyme substrates and reagents, culture media additives, dyes, stains and indicators. It is also involved in the preparation of N-methylated peptides.
일반 설명Fmoc-N-Me-Val-OH is a modified peptide. It is provided as a white powder with a molecular formula of C21H23NO4 and a molecular weight of 353.41. This compound is indispensable in peptide and peptidomimetic synthesis applications within the pharmaceutical, biotechnology and chemical sectors.
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