(2S,4R)-4-{[(tert-butoxy)carbonyl]amino}-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid
기본 정보
- CAS
273222-06-3- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1- InChIKey
FJEXPICLVWOJSE-VFNWGFHPSA-N- 분자식
- C25H28N2O6
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.19473662
이름 및 식별자
- 우선 이름
- (2S,4R)-4-{[(tert-butoxy)carbonyl]amino}-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
- 영어명
- (2S,4R)-1-(((9H-Fluoren-9-yl)Methoxy)carbonyl)-4-((tert-butoxycarbonyl)aMino)pyrrolidine-2-carboxylic acid
- 분자식
- C25H28N2O6
- 분자량
- 452.5
이름 및 동의어
(2S,4R)-4-{[(tert-butoxy)carbonyl]amino}-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid1-(9H-Fluoren-9-ylmethyl) (2S,4R)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2-pyrrolidinedicarboxylate(2S,4R)-4-(((tert-butoxy)carbonyl)amino)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)pyrrolidine-2-carboxylic acid1-(9H-Fluoren-9-ylmethyl) (2S,4R)-4-(((1,1-dimethylethoxy)carbonyl)amino)-1,2-pyrrolidinedicarboxylateRefChem:398936866-286-1273222-06-3(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylic acidMFCD01860707(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid(4R)-4-(Boc-amino)-1-Fmoc-L-proline(2S,4R)-4-(Boc-amino)-1-Fmoc-pyrrolidine-2-carboxylic Acid
이름 더 보기
(2S,4R)-Fmoc-Amp(Boc)-OHFmoc-Pro(4-NHBoc)-OH (2S,4R)Fmoc-L-Pro(4-NHBoc)-OH (2S,4R)(2S,4R)-Nα-Fmoc-4-N-Boc-aminoproline(2S,4R)-Boc-4-amino-1-Fmoc-pyrrolidine-2-carboxylic acid≥ 97% (HPLC)
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 728
물리화학적 성질
- 녹는점
- 85 · 85-87 °C
- 끓는 점
- 650.5 · 650.5±55.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.78 · 3.78±0.40(Predicted)
- InChIKey
- FJEXPICLVWOJSE-VFNWGFHPSA-N
- SMILES
- N1(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C[C@H](NC(OC(C)(C)C)=O)C[C@H]1C(O)=O
화학적 성질
White to greyish-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933998090
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…