기본 정보
- 표준 SMILES
CCOC(=O)[C@@H]1C[C@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1- InChIKey
XYTFWBVECOTPIF-CRAYSMOQSA-N- 분자식
- C47H60Cl2N2O9
- 평균 분자량
- 867.9 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (3R,4S)-3-({cyclopropyl[3-{[(1R,2R)-2-(ethoxy-carbonyl)cyclopropyl]methoxy}-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-[cyclopropyl-[[3-[[(1R,2R)-2-ethoxycarbonylcyclopropyl]methoxy]-5-(3-methoxypropyl)phenyl]methyl]carbamoyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-1-carboxylate
이름 및 동의어
XYTFWBVECOTPIF-CRAYSMOQSA-Ntert-butyl (3R,4S)-3-({cyclopropyl[3-{[(1R,2R)-2-(ethoxy-carbonyl)cyclopropyl]methoxy}-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylatetert-Butyl (3R,4S)-3-({cyclopropyl[3-{[(1R,2R)-2-(ethoxycarbonyl)cyclo-propyl]methoxy}-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-di-chloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylatetert-butyl (3R,4S)-3-({cyclopropyl[3-{[(1R,2R)-2-(ethoxycarbonyl)cyclopropyl]methoxy}-5-(3-methoxypropyl)benzyl]amino}-carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 86639858
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,360
관련 반응
5건
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