N-(Methoxycarbonyl)-3-methyl-L-valine 2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide
기본 정보
- CAS
857904-02-0- 표준 SMILES
COC(=O)N[C@H](C(=O)NNCc1ccc(-c2ccccn2)cc1)C(C)(C)C- InChIKey
ZQCYFRRVVVAWHJ-QGZVFWFLSA-N- 분자식
- C20H26N4O3
- 평균 분자량
- 370.4 g/mol
- 단동위원소 질량
- 370.2004907
이름 및 식별자
- 우선 이름
- N-(Methoxycarbonyl)-3-methyl-L-valine 2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide
- IUPAC
- methyl N-[(2S)-3,3-dimethyl-1-oxo-1-[2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
- 영어명
- (S)-Methyl (3,3-dimethyl-1-oxo-1-(2-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-yl)carbamate
- 분자식
- C20H26N4O3
- 분자량
- 370.45
이름 및 동의어
857904-02-0N-(Methoxycarbonyl)-3-methyl-L-valine 2-[[4-(2-pyridinyl)phenyl]methyl]hydrazideN-(Methoxycarbonyl)-3-methyl-L-valine 2-((4-(2-pyridinyl)phenyl)methyl)hydrazideRefChem:362763(S)-Methyl (3,3-dimethyl-1-oxo-1-(2-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-yl)carbamateAtazanavir metabolite M15SCHEMBL3807624CHEMBL3526892ZQCYFRRVVVAWHJ-QGZVFWFLSA-NDTXSID601134109MFCD29920899F50360
이름 더 보기
L-Valine, N-(methoxycarbonyl)-3-methyl-, 2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide
F528187N-[N-(Methoxycarbonyl)-L-tert-leucinyl]-N'-[4-(2-pyridyl)phenylmethyl]hydrazine(S)-Methyl(3,3-dimethyl-1-oxo-1-(2-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-yl)carbamateMethyl [(2S)-3,3-dimethyl-1-oxo-1-(2-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinyl)butan-2-yl]carbamatemethyl N-[(1S)-2,2-dimethyl-1-[[[4-(2-pyridyl)phenyl]methylamino]carbamoyl]propyl]carbamatemethyl N-[(2S)-3,3-dimethyl-1-oxo-1-[2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
데이터베이스 식별자
- CAS
857904-02-0- PubChem CID
- 11653592
- DTXSID
DTXSID601134109- ChEMBL
CHEMBL3526892
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 92.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 484
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Atazanavir
물리화학적 성질
- 녹는점
- 134 · 134-135 °C(Solv: isopropyl ether (108-20-3); ethanol (64-17-5))
- 끓는 점
- 529.7 · 529.7±50.0 °C(Predicted)
- 밀도
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.11 · 11.11±0.46(Predicted)
화학 및 산업
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