기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1- InChIKey
WIMASAGKPTWZLK-SCBLGKRXSA-N- 분자식
- C35H43N7O5
- 평균 분자량
- 641.8 g/mol
- 단동위원소 질량
- 641.3325675
이름 및 식별자
- 우선 이름
- N-((1R)-2-indol-3-yl-1-(N-[1-(2-oxo-1-phenyl-2-pyrrolidinylethyl)imidazol-4-yl]carbamoyl}ethyl)-2-[(tert-butoxy)carbonylamino]-2-methylpropanamide
- IUPAC
- tert-butyl N-[1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
이름 및 동의어
N-((1R)-2-indol-3-yl-1-(N-[1-(2-oxo-1-phenyl-2-pyrrolidinylethyl)imidazol-4-yl]carbamoyl}ethyl)-2-[(tert-butoxy)carbonylamino]-2-methylpropanamideN-((1R)-2-indol-3-yl-1-{N-[1-(2-oxo-1-phenyl-2-pyrrolidinylethyl)imidazol-4-yl]carbamoyl)ethyl)-2-[(tert-butoxy)carbonylamino]-2-methylpropanamideN-((1R)-2-indol-3-yl-1-{N-[1-(2-oxo-1-phenyl-2-pyrrolidinylethyl)imidazol-4-yl]carbamoyl}ethyl)-2-[(tert-butoxy)carbonylamino]-2-methylpropanamideSCHEMBL5860502WIMASAGKPTWZLK-SCBLGKRXSA-N
데이터베이스 식별자
- PubChem CID
- 9830850
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
3건
화합물 노트
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