기본 정보
- CAS
2244684-40-8- 표준 SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)c(O)c1- InChIKey
PQYALQWEVJKEKC-JTDSTZFVSA-N- 분자식
- C22H30N4O4S
- 평균 분자량
- 446.6 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
- 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
- 영어명
- L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)-
- 분자식
- C22H30N4O4S
- 분자량
- 446.56
이름 및 동의어
2244684-40-8(2S,4R)-1-((S)-2-Amino-3,3-dimethylbutanoyl)-4-hydroxy-N-(2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide(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-carboxamideSCHEMBL21901736SCHEMBL30043179SY310130H83738EN300-283342143-methyl-L-valyl-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-5-thiazolyl)phenyl]methyl]-(2S,4R)-1-[(S)-2-Amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-4-(4-methyl-5-thiazolyl)benzyl]pyrrolidine-2-carboxamideL-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)-
데이터베이스 식별자
- CAS
2244684-40-8
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 658
물리화학적 성질
- 끓는 점
- 737.3 · 737.3±60.0 °C(Predicted)
- 밀도
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.12 · 9.12±0.35(Predicted)
화학 및 산업
공급사9 곳
南京玛奇朵医药科技有限公司19556085883 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
吉林省沃达生物科技有限公司13504435624 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
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