기본 정보
- CAS
4666-16-4- 표준 SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O- InChIKey
FWRRURPRGINXSY-HNNXBMFYSA-N- 분자식
- C21H26N2O8
- 평균 분자량
- 434.4 g/mol
- 단동위원소 질량
- 434.16891579
이름 및 식별자
- 우선 이름
- 5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) (S)-2-(((phenylmethoxy)carbonyl)amino)glutarate
- IUPAC
- 5-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate
- 영어명
- Z-Glu(OtBu)-OSu
- 분자식
- C21H26N2O8
- 분자량
- 434.44
이름 및 동의어
4666-16-4EINECS 225-111-35-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) (S)-2-(((phenylmethoxy)carbonyl)amino)glutarateDTXSID601968975-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) (S)-2-[[(phenylmethoxy)carbonyl]amino]glutarateL-Glutamic acid, N-((phenylmethoxy)carbonyl)-, 5-(1,1-dimethylethyl) 1-(2,5-dioxo-1-pyrrolidinyl) esterL-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(2,5-dioxo-1-pyrrolidinyl) esterRefChem:537822DTXCID00119388225-111-3Z-Glu(OtBu)-OSuMFCD00153329
이름 더 보기
Z-GLU(OBUT)-OSUZ-L-Glu(tBu)-OSuZ-L-Glu(OtBu)-OSuCBZ-Glu(OtBu)-OSuZ-GLUTAMIC ACID(OTBU)-OSUZ-L-GLUTAMIC ACID 5-TERT-BUTYL-1-(N- &N-cbz-gamma-T-butyl-L-glutamic acid*N-hydroxysuccN-CBZ-GAMMA-T-BUTYL-L-GLUTAMIC ACIDN-HYD ROXYSUCCINZ-L-GLUTAMIC ACID Y-T-BUTYL-A-HYDROXYSUCCINIMID-DIESTER
5-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate(S)-5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-(((benzyloxy)carbonyl)amino)pentanedioateCbz-L-glutamic acid 5-tert-butyl-1-(N-succinimidyl) ester1-tert-butyl 2,5-dioxopyrrolidin-1-yl (4S)-4-{[(benzyloxy)carbonyl]amino}pentanedioateSCHEMBL2777934AKOS027327993FD21459(S)-5-[(2,5-Dioxopyrrolidin-1-yl)oxy]-5-oxo-4-[[(benzyloxy)carbonyl]amino]pentanoic acid tert-butyl ester
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 678
물리화학적 성질
- 녹는점
- 105 · 105-107 °C
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 산도 계수 (pKa)
- 10.36 · 10.36±0.46(Predicted)
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
- wgk
- 3
- safety_code
- 22-24/25
- F 고인화성물질
- 10-21
화학 및 산업
상·하류 제품 정보
상류 원료
공급사37 곳
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