기본 정보
- CAS
461444-55-3- 표준 SMILES
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O- InChIKey
KKTYZYHUPKXLPL-RIQJEONASA-N- 분자식
- C35H41N3O6S
- 평균 분자량
- 631.8 g/mol
- 단동위원소 질량
- 631.27160721
이름 및 식별자
- 우선 이름
- Kni-10006
- IUPAC
- (4R)-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
이름 및 동의어
KNI-1000621BKD6T22EKNI10006461444-55-3(4R)-N-((1S,2R)-2,3-Dihydro-2-hydroxy-1H-inden-1-yl)-3-((2S,3S)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-4-thiazolidinecarboxamide4-Thiazolidinecarboxamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-3-((2S,3S)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R)-RefChem:151331CHEMBL231522(4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide3fnu3kdb3qs1
이름 더 보기
UNII-21BKD6T22ESCHEMBL13788265BDBM50209559Q27447750(R)-3-((2S,3S)-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,030
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