기본 정보
- CAS
2244684-41-9- 표준 SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)c(O)c1.Cl- InChIKey
FGHHMQAYSMXLDO-FRFVDRIFSA-N- 분자식
- C22H31ClN4O4S
- 평균 분자량
- 483 g/mol
이름 및 식별자
- 우선 이름
- (2S,4R)-1-((S)-2-Amino-3,3-dimethylbutanoyl)-4-hydroxy-N-(2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride
- IUPAC
- (2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
- 영어명
- ((S)-1-((2S,4R)-4-hydroxy-2-((2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
- 분자식
- C22H31ClN4O4S
- 분자량
- 483.02
이름 및 동의어
2244684-41-9(2S,4R)-1-((S)-2-Amino-3,3-dimethylbutanoyl)-4-hydroxy-N-(2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride(2S,4R)-1-((S)-2-AMINO-3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-(2-HYDROXY-4-(4-METHYLTHIAZOL-5-YL)BENZYL)PYRROLIDINE-2-CARBOXAMIDE HCLSCHEMBL23405399MFCD34679785AT11466SY325312((S)-1-((2S,4R)-4-hydroxy-2-((2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate(2S,4R)-1-[(S)-2-Amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-4-(4-methyl-5-thiazolyl)benzyl]pyrrolidine-2-carboxamide Hydrochloride
데이터베이스 식별자
- CAS
2244684-41-9
물성
구조 계산 물성
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 658
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