benzyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
기본 정보
- CAS
82637-57-8- 표준 SMILES
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)OCc1ccccc1- InChIKey
JZXQEVNCLGXAGD-UHFFFAOYSA-N- 분자식
- C34H40N2O7
- 평균 분자량
- 588.7 g/mol
- 단동위원소 질량
- 588.28355162
이름 및 식별자
- 우선 이름
- benzyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
- IUPAC
- benzyl 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
이름 및 동의어
82637-57-8CHEMBL58340benzyl 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) esterbenzyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylateDTXSID80516139BDBM50021538(S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester(S,S,S) 2-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl esterBenzyl 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
데이터베이스 식별자
- CAS
82637-57-8- PubChem CID
- 13044267
- DTXSID
DTXSID80516139- ChEMBL
CHEMBL58340- EC Number
- 617-368-9
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 888
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…