기본 정보
- 표준 SMILES
CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCC[C@H]3C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1- InChIKey
LIZBWENOUDILHK-YFENAONTSA-N- 분자식
- C59H83N7O12
- 평균 분자량
- 1,082.3 g/mol
이름 및 식별자
- 우선 이름
- N1-(2-((S)-2-(2,5,8,11,14,17,20,23-octaoxapentacosan-25-ylcarbamoyl)pyrrolidin-1-yl)ethyl)-N3-(4-(diethylamino)-2-(4-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)-N-methylisophthalamide
- IUPAC
- 1-N-[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]pyrrolidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide
이름 및 동의어
SCHEMBL10290366LIZBWENOUDILHK-YFENAONTSA-NN1-(2-((S)-2-(2,5,8,11,14,17,20,23-octaoxapentacosan-25-ylcarbamoyl)pyrrolidin-1-yl)ethyl)-N3-(4-(diethylamino)-2-(4-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)-N-methylisophthalamideN1-(2-((S)-2-(2,5,8,11,14,17,20,23-octaoxapentacosan-25-ylcarbamoyl)pyrrolidin-1-yl)ethyl)-N3-(4-(diethylamino)-2-(4-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)-N1-methylisophthalamide
데이터베이스 식별자
- PubChem CID
- 86705973
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 201 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 37
- 무거운 원자 수
- 78
- 형식 전하
- 0
- 복잡도
- 1,680
관련 반응
2건
화합물 노트
불러오는 중…