(S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
기본 정보
- CAS
114346-31-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O- InChIKey
ZKSJJSOHPQQZHC-VWLOTQADSA-N- 분자식
- C29H30N2O6
- 평균 분자량
- 502.6 g/mol
- 단동위원소 질량
- 502.21038668
이름 및 식별자
- 우선 이름
- (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
- IUPAC
- (2S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- 영어명
- BOC-PHE(4-NHFMOC)-OH
- 분자식
- C29H30N2O6
- 분자량
- 502.56
이름 및 동의어
114346-31-5boc-4-(fmoc-amino)-l-phenylalanineboc-phe(4-nhfmoc)-ohMFCD00151889boc-p-amino-phe(fmoc)-oh(s)-boc-(4-fmoc-amino)-phenylalanine(S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acidBoc-L-Phe(4-NHFmoc)-OHboc-l-(4-fmoc)aminophenylalanineBoc-L-(4-Fmoc)-aminophenylalanineN-Boc-4-(Fmoc-amino)-L-phenylalanine(2S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
이름 더 보기
BOC-L-PHE(4-NH-FMOC)Boc-L-phe(Fmoc-4-Amino)-OHBoc-p-(Fmoc-amino)-L-Phe-OHBOC-PHE(4-NHFMOC)-OH USP/EP/BPBOC-L-4-AMINOPHENYLALANINE(FMOC)
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N-[(1,1-dimethylethoxy)carbonyl]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-L-Phenylalanineboc-d-(4-fmoc)aminophenylalanine(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]propanoic acidZKSJJSOHPQQZHC-VWLOTQADSA-N(2S)-2-(tert-Butoxycarbonylamino)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]propanoic acidboc-p(nh-fmoc)-l-phe-ohBOC-PHE(P-NHFMOC)-OH
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 781
물리화학적 성질
- 끓는 점
- 671 · 671.0±55.0 °C(Predicted)
- 밀도
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.9 · 3.90±0.10(Predicted)
화학적 성질
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29242990
관련 반응
4건
화합물 노트
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