기본 정보
- CAS
923591-20-2- 표준 SMILES
C=CCCC(C)(C)COC(=O)N[C@H](C(=O)O)C(C)(C)C- InChIKey
SQRDVSLNJDVGSP-LLVKDONJSA-N- 분자식
- C15H27NO4
- 평균 분자량
- 285.38 g/mol
- 단동위원소 질량
- 285.19400834
이름 및 식별자
- 우선 이름
- (S)-2-((((2,2-Dimethylhex-5-en-1-yl)oxy)carbonyl)amino)-3,3-dimethylbutanoic acid
- IUPAC
- (2S)-2-(2,2-dimethylhex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid
- 영어명
- N-[[(2,2-Dimethyl-5-hexen-1-yl)oxy]carbonyl]-3-methyl- L-Valine
- 분자식
- C15H27NO4
- 분자량
- 285.38
이름 및 동의어
923591-20-2(S)-2-((((2,2-Dimethylhex-5-en-1-yl)oxy)carbonyl)amino)-3,3-dimethylbutanoic acid(2S)-2-({[(2,2-DIMETHYLHEX-5-EN-1-YL)OXY]CARBONYL}AMINO)-3,3-DIMETHYLBUTANOIC ACIDSCHEMBL733066DTXSID10670172SQRDVSLNJDVGSP-LLVKDONJSA-NN-[[(2,2-dimethyl-5-hexen-1-yl)oxy]carbonyl]-3-methyl- L-ValineN-{[(2,2-dimethylhex-5-enyl)oxy]carbonyl}-3-methyl-L-valinen-{[(2,2-dimethylhex-5-en-1-yl)oxy]carbonyl}-3-methyl-l-valineN-{[(2,2-Dimethylhex-5-enyl)oxy]carbonyl} -3-methyl-L-valine(S)-2-((2,2-dimethylhex-5-enyloxy)carbonylamino)-3,3-dimethylbutanoic acidL-Valine, N-[[(2,2-dimethyl-5-hexen-1-yl)oxy]carbonyl]-3-methyl-
이름 더 보기
(S)-2-((((2,2-dimethylhex-5-en-1-yl)oxy)carbonyl)amino)-3,3-dimethylbutanoicacid
데이터베이스 식별자
- CAS
923591-20-2- PubChem CID
- 45379499
- DTXSID
DTXSID10670172- Nikkaji
- J2.991.543A
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 355
물리화학적 성질
- 끓는 점
- 418.2 · 418.2±38.0 °C(Predicted)
- 밀도
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.02 · 4.02±0.10(Predicted)
화학 및 산업
공급사7 곳
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