1-tert-Butyl 3-methyl (3R,5S)-5-[(2-methylpropyl){[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate
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기본 정보
- 표준 SMILES
COC(=O)[C@@H]1C[C@H](N(CC(C)C)C(=O)c2nc3ccccc3n2CCc2ccccc2)CN(C(=O)OC(C)(C)C)C1- InChIKey
JKXCETDPRRPBDO-RPBOFIJWSA-N- 분자식
- C32H42N4O5
- 평균 분자량
- 562.7 g/mol
이름 및 식별자
- 우선 이름
- 1-tert-Butyl 3-methyl (3R,5S)-5-[(2-methylpropyl){[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3R,5S)-5-[2-methylpropyl-[1-(2-phenylethyl)benzimidazole-2-carbonyl]amino]piperidine-1,3-dicarboxylate
이름 및 동의어
SCHEMBL12441143JKXCETDPRRPBDO-RPBOFIJWSA-N1-tert-Butyl 3-methyl (3R, 5S)-5-[(2-methylpropyl){[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl (3R,5S)-5-[(2-methylpropyl) {[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate1-tert-Butyl 3-methyl (3R,5S)-5-[(2-methylpropyl){[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate1-tert-Butyl 3-methyl(3R,5S)-5-[(2-methylpropyl) {[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate1-tert-Butyl 3-methyl(3R,5S)-5-[(2-methylpropyl){[1-(2-phenylethyl)-1H-benzimidazol-2-yl]carbonyl}amino]piperidine-1,3-dicarboxylate
데이터베이스 식별자
- PubChem CID
- 58355577
물성
구조 계산 물성보충 중
- XLogP
- 5.4
- 극성 표면적
- 94 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 899
관련 반응
7건
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