(2S)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
기본 정보
- CAS
143824-78-6- 표준 SMILES
CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21- InChIKey
ADOHASQZJSJZBT-SANMLTNESA-N- 분자식
- C31H30N2O6
- 평균 분자량
- 526.6 g/mol
- 단동위원소 질량
- 526.21038668
이름 및 식별자
- 우선 이름
- (2S)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
- 영어명
- Fmoc-Trp(Boc)-OH
- 분자식
- C31H30N2O6
- 분자량
- 526.58
이름 및 동의어
Fmoc-L-Trp(Boc)-OH(2S)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid(2S)-3-(1-((tert-butoxy)carbonyl)-1H-indol-3-yl)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acidRefChem:398509604-383-0Fmoc-Trp(Boc)-OH143824-78-6MFCD00153366(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acidL-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)propanoic acidCHEMBL5397715
이름 더 보기
FMOC-TRP(BOC)FMOC-L-TRP(BOC)Fmoc-Trp(Boc)-0HFMOC-N-BOC-L-TRYPTOPHANNα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N1-tert-butoxycarbonyl-L-tryptophanN-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-N-IN-T-BUTYL-OXYCARBONYL-L-TRYPTOPHAN(2S)-3-(1-tert-butoxycarbonylindol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid(2R)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acidN1-Boc-NaL
N1-Boc-Nalpha-Fmoc-L-tryptophanNa-(((9H-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)-L-tryptophanF0507EN300-249916M033761-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan3-[(2S)-2-Carboxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]ethyl]indole-1-carboxylic acid tert-butyl esterNalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N1-tert-butoxycarbonyl-L-tryptophan
데이터베이스 식별자
- CAS
143824-78-6- PubChem CID
- 9849766
- DTXSID
DTXSID60431755- ChEMBL
CHEMBL5397715- UNII
- X3V4CFM5R8
- EC Number
- 604-383-0
- Nikkaji
- J956.294J
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 880
물리화학적 성질
- 녹는점
- 97 ℃ · ca 97℃
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 굴절률
- -20 ° · -20 ° (C=1, DMF)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 산도 계수 (pKa)
- 3.71 · 3.71±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- White to Orange to Green
- BRN
- 7698009 · 7698009
- 주요 응용
- 펩타이드 합성
- InChIKey
- ADOHASQZJSJZBT-SANMLTNESA-N
- SMILES
- C(O)(=O)[C@H](CC1C2=C(C=CC=C2)N(C(OC(C)(C)C)=O)C=1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
화학적 성질
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 6.7% (3 of 45) of reports.
Warning
H317 (91.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1 (91.1%)
안전 데이터
- wgk
- 3
- ridadr
- 3077
- HS 번호
- 29339900
- risk_code
- 36/37/38-51/53-43
- hazard_code
- Xi,N
- safety_code
- 22-24/25-36/37/39-27-26-61-37-24
- 위험 등급
- 9
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Fmoc-Trp(Boc)-OH is a very useful synthetic intermediate. It is used to prepare Trp containing-peptides.
일반 설명The use of Fmoc-Trp(Boc)-OH overcomes most of the problems associated with the preparation of Trp containing-peptides by Fmoc SPPS [1]. Cleavage with TFA generates an N-in-carboxy indole which protects the Trp from alkylation [1, 2, 3] and sulfonation [1, 4, 5, 6, 7]. The N-in-carboxy group is removed under aqueous conditions during normal work-up of the peptide.
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