4-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol ester
기본 정보
- 표준 SMILES
COC(=O)C(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C- InChIKey
OGZJASWLLYAZIA-UHFFFAOYSA-N- 분자식
- C21H32BNO6
- 평균 분자량
- 405.3 g/mol
- 단동위원소 질량
- 405.2322679
이름 및 식별자
- 우선 이름
- 4-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol ester
- IUPAC
- methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
이름 및 동의어
335030-22-34-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol esterMethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoatemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoateC21H32BNO6SCHEMBL539840methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoateMFCD30834475AB88468AB89340AT29520SB17957
이름 더 보기
BS-28491methyl 2-(tert-butoxycarbonylamino)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoateCS-01746774-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronicacidpinacolesterPhenylalanine, N-[(1,1-diMethylethoxy)carbonyl]-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
데이터베이스 식별자
- PubChem CID
- 53401284
물성
구조 계산 물성
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 576
관련 반응
3건
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