기본 정보
- 표준 SMILES
COC(=O)Cn1c(C(=O)N(CC(C)C)[C@H]2C[C@@H](C(=O)N3CCOCC3)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21- InChIKey
PHQUFUPRPSHBHZ-YADHBBJMSA-N- 분자식
- C30H43N5O7
- 평균 분자량
- 585.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (3S,5R)-3-[[[1-(2-methoxy-2-oxoethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[[1-(2-methoxy-2-oxoethyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
이름 및 동의어
tert-butyl (3S, 5R)-3-[[[1-(2-methoxy-2-oxoethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S, 5R)-3-[{[1-(2-methoxy-2-oxoethyl)-1H-benzimidazol-2-yl]carbonyl}(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-[[[1-(2-methoxy-2-oxoethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-[{[1-(2-methoxy-2-oxoethyl)-1H-benzimidazol-2-yl]carbonyl}(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylateSCHEMBL1422520PHQUFUPRPSHBHZ-YADHBBJMSA-N
데이터베이스 식별자
- PubChem CID
- 58355362
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 980
관련 반응
8건
화합물 노트
불러오는 중…