기본 정보
- 표준 SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCO)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
YGNZYFKGGRGLCK-YADHBBJMSA-N- 분자식
- C29H43N5O6
- 평균 분자량
- 557.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (3S,5R)-3-[[[1-(2-hydroxyethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[[1-(2-hydroxyethyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
이름 및 동의어
tert-butyl (3S,5R)-3-[[[1-(2-hydroxyethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-[{[1-(2-hydroxyethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylateSCHEMBL2220166YGNZYFKGGRGLCK-YADHBBJMSA-Ntert-butyl (3S, 5R)-3-[[[1-(2-hydroxyethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S, 5R)-3-[[[1-(2-hydroxyethyl)-1H-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3s,5r)-3-[[[1-(2-hydroxyethyl)-1h-benzimidazol-2-yl]carbonyl](2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 58355342
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 889
관련 반응
12건
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