N(alpha), N-(im)-Di-Boc-L-histidine methyl ester

HCID 10904703

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17791-51-4
표준 SMILES: COC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)NC(=O)OC(C)(C)C
InChIKey: ZYCZFTGHOVFXLZ-LBPRGKRZSA-N
분자식: C17H27N3O6
평균 분자량: 369.4 g/mol
단동위원소 질량: 369.18998559

이름 및 식별자

우선 이름: N(alpha), N-(im)-Di-Boc-L-histidine methyl ester
IUPAC: tert-butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
영어명: N(alpha) N-(im)-di-Boc-L-histidine
분자식: C17H27N3O6
분자량: 369.41

이름 및 동의어

N(alpha), N-(im)-Di-Boc-L-histidine methyl ester17791-51-4DTXSID50447860RefChem:358135DTXCID5039868120898-43-5MFCD03094049N(Alpha),n-(im)-di-boc-l-histidinemethylesterBoc-His(Boc)-Ometert-butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate(S)-tert-Butyl 4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1H-imidazole-1-carboxylateTert-butyl (S)-4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1H-imidazole-1-carboxylate

이름 더 보기

Boc-L-His(Boc)-OMe(Tert-Butoxy)Carbonyl His(Boc)-OMeNa,N-(im)-Di-BOC-L-histidinemethylesterNα,Nim-Bis-Boc-L-histidine methyl esterNa,nim-bis-boc-L-histidine methyl esterNα,Nim-Bis-Boc-L-histidine methyl ester99%n(α), n-(im)-di-boc-l-histidine methyl esterN(α), N-(im)-Di-Boc-L-histidine methyl esterN(ALPHA) N-(IM)-DI-BOC-L-HISTIDINE USP/EP/BPN(alpha), N-(im)-Di-Boc-L-histidine methyl ester 97%

Boc-His(1-Boc)-OMeN-ALPHA,N-IM-BIS-BOC-L-HISTIDINE METHYL ESTERSCHEMBL3439706ZYCZFTGHOVFXLZ-LBPRGKRZSA-NN,1-bis-BOC-histidine methyl esterL-Histidine, N,3-bis[(1,1-dimethylethoxy)carbonyl]-, methyl estern(alpha) n-(im)-di-boc-l-histidineAKOS030627802

데이터베이스 식별자

CAS: 17791-51-4
PubChem CID: 10904703
DTXSID: DTXSID50447860
Nikkaji: J25.231J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 109 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 26
형식 전하: 0
복잡도: 524

물리화학적 성질

녹는점: 113 · 113-116 °C (lit.)
밀도: 1.177 · 1.177±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.846 · 10.846±0.46(predicted)
주요 응용: 펩타이드 합성
InChI: 1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)/t12-/m0/s1
InChIKey: ZYCZFTGHOVFXLZ-LBPRGKRZSA-N
SMILES: COC(=O)[C@H](Cc1cn(cn1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C