(Z)-((2R,4R,6R)-2-Methoxy-2-((R)-3-(4-methoxybenzyl)-2-oxothiazolidin-4-yl)-6-phenethyl-tetrahydro-2H-pyran-4-yl) 3-Methylhepta-2,6-dienoate
기본 정보
- 표준 SMILES
C=CCC/C(C)=C\C(=O)O[C@@H]1C[C@@H](CCc2ccccc2)O[C@@](OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)C1- InChIKey
NHTBWUAKRQBPSJ-SYMMWRMVSA-N- 분자식
- C33H41NO6S
- 평균 분자량
- 579.7 g/mol
이름 및 식별자
- 우선 이름
- (Z)-((2R,4R,6R)-2-Methoxy-2-((R)-3-(4-methoxybenzyl)-2-oxothiazolidin-4-yl)-6-phenethyl-tetrahydro-2H-pyran-4-yl) 3-Methylhepta-2,6-dienoate
- IUPAC
- [(2R,4R,6R)-2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]-6-(2-phenylethyl)oxan-4-yl] (2Z)-3-methylhepta-2,6-dienoate
이름 및 동의어
SCHEMBL2525386NHTBWUAKRQBPSJ-SYMMWRMVSA-N(Z)-((2R,4R,6R)-2-Methoxy-2-((R)-3-(4-methoxybenzyl)-2-oxothiazolidin-4-yl)-6-phenethyl-tetrahydro-2H-pyran-4-yl) 3-Methylhepta-2,6-dienoate(Z)-((2R,4R,6R)-2-Methoxy-2-((R)-3-(4-methoxybenzyl)-2-oxothiazolidin-4-yl)-6-phenethyl-tetrahydro-2H-pyran4-yl)-3-Methylhepta-2,6-dienoate
데이터베이스 식별자
- PubChem CID
- 59644081
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 99.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 896
관련 반응
5건
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