(S)-2-((((2,2-Dimethylhex-5-en-1-yl)oxy)carbonyl)amino)-3,3-dimethylbutanoic acid

HCID 45379499

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

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

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]

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