(3R)-tert-butyl 3-(3,5-difluorophenyl)-5-oxo-4-(2-oxo-2-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridin-6,3'-pyrrolo[2,3-b]pyridin]-3-ylamino)ethyl)-8,11-dioxa-1,4-diaza-spiro[5.6]dodecane-1-carboxylate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12COCCOC2- InChIKey
OINOISNRKDGUTL-DVRVPOOOSA-N- 분자식
- C35H36F2N6O7
- 평균 분자량
- 690.7 g/mol
이름 및 식별자
- 우선 이름
- (3R)-tert-butyl 3-(3,5-difluorophenyl)-5-oxo-4-(2-oxo-2-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridin-6,3'-pyrrolo[2,3-b]pyridin]-3-ylamino)ethyl)-8,11-dioxa-1,4-diaza-spiro[5.6]dodecane-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-(3,5-difluorophenyl)-5-oxo-4-[2-oxo-2-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)amino]ethyl]-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
이름 및 동의어
SCHEMBL11895877OINOISNRKDGUTL-DVRVPOOOSA-N(3R)-tert-butyl 3-(3,5-difluorophenyl)-5-oxo-4-(2-oxo-2-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridin-6,3'-pyrrolo[2,3-b]pyridin]-3-ylamino)ethyl)-8,11-dioxa-1,4-diaza-spiro[5.6]dodecane-1-carboxylate(3R)-tert-butyl 3-(3,5-difluorophenyl)-5-oxo-4-(2-oxo-2-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridin-6,3'-pyrrolo[2,3-b]pyridin]-3-ylamino)ethyl)-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 68154406
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,320
관련 반응
2건
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