tert-Butyl (2S)-2-{[({[(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]methyl}pyrrolidine-1-carboxylate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1452466-54-4- 표준 SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1- InChIKey
ZFGWJPHFRYECIN-AABGKKOBSA-N- 분자식
- C24H34N4O6
- 평균 분자량
- 474.5 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl (2S)-2-{[({[(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]methyl}pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxymethyl]pyrrolidine-1-carboxylate
- 영어명
- tert-butyl (2S)-2-((((2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamido)oxy)methyl)pyrrolidine-1-carboxylate
- 분자식
- C24H34N4O6
- 분자량
- 474.55
이름 및 동의어
SCHEMBL16714928ZFGWJPHFRYECIN-AABGKKOBSA-N1-Pyrrolidinecarboxylic acid, 2-[[[[[(1R,2S,5R)-7-oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl]amino]oxy]methyl]-, 1,1-dimethylethyl ester, (2S)-1452466-54-4tert-Butyl (2S)-2-{[({[(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]methyl}pyrrolidine-1-carboxylatetert-butyl (2S)-2-((((2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamido)oxy)methyl)pyrrolidine-1-carboxylate2-Methyl-2-propanyl (2S)-2-{[({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]methyl}-1-pyrrolidinecarboxylate(2S)-2-[[[[[(1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl]amino]oxy]methyl]-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
1452466-54-4
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 750
물리화학적 성질
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.1 · -2.10±0.40(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…