(S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylic acid
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기본 정보
- 표준 SMILES
O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1- InChIKey
KEQLVIFRZVZQOA-RBUKOAKNSA-N- 분자식
- C26H23F3N4O5
- 평균 분자량
- 528.5 g/mol
- 단동위원소 질량
- 528.16205433
이름 및 식별자
- 우선 이름
- (S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylic acid
- IUPAC
- (3S)-1-[(2S)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidine-3-carboxylic acid
이름 및 동의어
1265321-86-5BMS-960BMS-960 (free base)(S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylic acidCHEMBL4448752(3S)-1-[(2S)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidine-3-carboxylic acid(3S)-1-[(2S)-2-hydroxy-2-(4-{5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]piperidine-3-carboxylic acidorb1700992SCHEMBL1226192BDBM50532552AKOS040748023HY-120611
이름 더 보기
CS-0078430T26866(S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl) piperidine-3-carboxylic acid(S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylicacid
데이터베이스 식별자
- PubChem CID
- 50925337
- ChEMBL
CHEMBL4448752
물성
구조 계산 물성보충 중
- XLogP
- 1.4
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 793
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