tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
기본 정보
- 표준 SMILES
COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2COC)CN(C(=O)OC(C)(C)C)C1- InChIKey
LLRQHGWOGZCZMR-CYXNTTPDSA-N- 분자식
- C34H58N6O6
- 평균 분자량
- 646.9 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[[2-tert-butyl-4-(3-methoxypropylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
이름 및 동의어
SCHEMBL12991832LLRQHGWOGZCZMR-CYXNTTPDSA-Ntert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 59625617
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 998
관련 반응
1건
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