기본 정보
- 표준 SMILES
CC1CCC(N(CCCSc2ccccc2OC(F)(F)F)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1- InChIKey
KSPGZEGSXBJZQB-UHFFFAOYSA-N- 분자식
- C25H32F3N3O4S3
- 평균 분자량
- 591.7 g/mol
- 단동위원소 질량
- 591.15070452
이름 및 식별자
- 우선 이름
- 2-Methyl-2-(2-{3-(trans-4-methyl-cyclohexyl)-3-[3-(2-trifluoromethoxy-phenylsulfanyl)propyl]-ureido}-thiazol-5-ylsulfanyl)-propionic acid
- IUPAC
- 2-methyl-2-[[2-[[(4-methylcyclohexyl)-[3-[2-(trifluoromethoxy)phenyl]sulfanylpropyl]carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid
이름 및 동의어
2-Methyl-2-(2-{3-(trans-4-methyl-cyclohexyl)-3-[3-(2-trifluoromethoxy-phenylsulfanyl)propyl]-ureido}-thiazol-5-ylsulfanyl)-propionic acidSCHEMBL2656813SCHEMBL2656817KSPGZEGSXBJZQB-XPIKVJKASA-N2-Methyl-2-(2-{3-(trans-4-methyl-cyclohexyl)-3-[3-(2-trifluoromethoxy-phenylsulfanyl) -propyl]-ureido}-thiazol-5-ylsulfanyl)-propionic acid2-Methyl-2-(2-{3-(trans-4-methyl-cyclohexyl)-3-[3-(2-trifluoromethoxy-phenylsulfanyl)-propyl]-ureido}-thiazol-5-ylsulfanyl)-propionic acid
데이터베이스 식별자
- PubChem CID
- 24990446
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 785
관련 반응
1건
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