(RS)-[4-Cyano-5-morpholin-4-yl-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C#N)cc1NC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1- InChIKey
XYVPFXRLRVEDQA-UHFFFAOYSA-N- 분자식
- C33H39N7O7
- 평균 분자량
- 645.7 g/mol
이름 및 식별자
- 우선 이름
- (RS)-[4-Cyano-5-morpholin-4-yl-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-cyano-5-morpholin-4-yl-2-[[3-[3-[5-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]-3-oxopropanoyl]amino]phenyl]carbamate
이름 및 동의어
SCHEMBL6433300XYVPFXRLRVEDQA-UHFFFAOYSA-N(RS)-[4-Cyano-5-morpholin-4-yl-2-(3-oxo-3-{ 3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester(RS)-[4-Cyano-5-morpholin-4-yl-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-y]-phenyl}-propionylamino)-phenyl]-carbamic Acid tert-Butyl Ester(RS)-[4-cyano-5-morpholin-4-yl-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 86586992
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
2건
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