Ethyl N-(tert-butoxycarbonyl)-L-tyrosinate

HCID 11077750

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72594-77-5
표준 SMILES: CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
InChIKey: XKYTXJUGUROLJK-ZDUSSCGKSA-N
분자식: C16H23NO5
평균 분자량: 309.36 g/mol
단동위원소 질량: 309.15762283

이름 및 식별자

우선 이름: Ethyl N-(tert-butoxycarbonyl)-L-tyrosinate
IUPAC: ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
영어명: Boc-L-tyrosine ethyl ester
분자식: C16H23NO5
분자량: 309.36

이름 및 동의어

72594-77-5DTXSID20454440Ethyl N-(tert-butoxycarbonyl)-L-tyrosinateRefChem:1085074DTXCID60405259Boc-L-Tyrosine ethyl ester(S)-Ethyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateMFCD06795948Ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate(S)-ETHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(4-HYDROXYPHENYL)PROPANOATEethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoateBoc-L-Tyr-OEt

이름 더 보기

ethyl (tert-butoxycarbonyl)-L-tyrosinateEthyl N-Boc-L-tyrosinateGadoxetate Disodium Impurity 22BOC-L-TYROSINE ETHYL ESTER USP/EP/BPBenzenesulfonylchloride,5-bromo-5-ethoxy-N-tert-Butoxycarbonyl-L-tyrosine ethyl esterL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester

Boc-Tyrosine ethyl esterN-(tert-butoxycarbonyl)-L-tyrosine ethyl esterSCHEMBL920111XKYTXJUGUROLJK-ZDUSSCGKSA-Nn-(boc)-(s)-tyrosine ethyl ester(S)-Ethyl2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateSC5050AKOS016010047

데이터베이스 식별자

CAS: 72594-77-5
PubChem CID: 11077750
DTXSID: DTXSID20454440
Nikkaji: J2.368.631G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 22
형식 전하: 0
복잡도: 369

물리화학적 성질

녹는점: 87 · 87-88 °C
끓는 점: 463.786 · 463.786±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.15 · 1.150±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.749 · 9.749±0.15(predicted)
InChI: InChI=1S/C16H23NO5/c1-5-21-14(19)13(17-15(20)22-16(2,3)4)10-11-6-8-12(18)9-7-11/h6-9,13,18H,5,10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKey: XKYTXJUGUROLJK-ZDUSSCGKSA-N
SMILES: C(OCC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O