N-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-phenyl]-methanesulfonamide
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기본 정보
- 표준 SMILES
CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(c3ccc(C=C4SC(N5CCCCC5)=NC4=O)cc3)CC2)ccc1O- InChIKey
SSXQWBKAUHDGSW-DEOSSOPVSA-N- 분자식
- C30H39N5O6S2
- 평균 분자량
- 629.8 g/mol
이름 및 식별자
- 우선 이름
- N-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-phenyl]-methanesulfonamide
- IUPAC
- N-[2-hydroxy-5-[(2S)-2-hydroxy-3-[[1-[4-[(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl]piperidin-4-yl]amino]propoxy]phenyl]methanesulfonamide
이름 및 동의어
SCHEMBL6871989SSXQWBKAUHDGSW-DEOSSOPVSA-NN-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H- thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy) -phenyl]-methanesulfonamideN-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy) -phenyl]-methanesulfonamideN-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-phenyl]-methanesulfonamideN-[2-Hydroxy-5-((2S)-2-hydroxy-3-{1-[4-(4-oxo2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy) -phenyl]-methanesulfonamide
데이터베이스 식별자
- PubChem CID
- 69922939
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
3건
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