기본 정보
- 표준 SMILES
CCCCC#Cc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1- InChIKey
IZJCDCTYSPGWCY-PKTZIBPZSA-N- 분자식
- C31H48N4O5
- 평균 분자량
- 556.7 g/mol
이름 및 식별자
- 우선 이름
- 1-tert-butyl 3-methyl (3R,5S)-5-{[(2-tert-butyl-4-(hex-1-yn-1-yl)pyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3R,5S)-5-[(2-tert-butyl-4-hex-1-ynylpyrimidine-5-carbonyl)-(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
이름 및 동의어
SCHEMBL12441352IZJCDCTYSPGWCY-PKTZIBPZSA-N1-tert-Butyl 3-methyl (3R,5S)-5-{[(2-tert-butyl-4-(hex-1-yn-1-yl) pyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl (3R,5S)-5-{[(2-tert-butyl-4-(hex-1-yn-1-yl)pyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl(3r,5s)-5-{[(2-tert-butyl-4-(hex-1-yn-1-yl)pyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate
데이터베이스 식별자
- PubChem CID
- 58355146
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 939
관련 반응
8건
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