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기본 정보
- CAS
343981-29-3- 표준 SMILES
Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c(=O)n1C- InChIKey
IBAZQIKVHCLTHH-SFHVURJKSA-N- 분자식
- C24H19Cl2F3N2O4
- 평균 분자량
- 527.3 g/mol
- 단동위원소 질량
- 526.06739711
개요
N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine is an L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phenyl ring. It is a N-acyl-L-amino acid, an organofluorine compound, a pyridone and a L-phenylalanine derivative.
이름 및 식별자
- 우선 이름
- RO-0505376
- IUPAC
- (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid
이름 및 동의어
UHG8ON73DXUNII-UHG8ON73DX343981-29-3N-(2,6-Dichlorobenzoyl)-4-[1,6-Dimethyl-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl]-L-PhenylalanineRO-0505376CHEBI:90591L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-(1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl)-N-(2,6-Dichlorobenzoyl)-4-(1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)-L-phenylalanineRefChem:202873RO0505376RO 0505376CHEMBL2332742
이름 더 보기
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acidorb2815320SCHEMBL6234813DTXSID501352279GLXC-27141BDBM50428926T202390Q27162615
데이터베이스 식별자
- CAS
343981-29-3- PubChem CID
- 9806910
- DTXSID
DTXSID501352279- ChEMBL
CHEMBL2332742- ChEBI
CHEBI:90591- UNII
- UHG8ON73DX
물성
구조 계산 물성보충 중
- XLogP
- 5
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 903
화학 및 산업
공급사1 곳
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
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