(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-[1,2,3]triazole-4-carbonyl)amino]pentanoic Acid

HCID 67969390

기본 정보

표준 SMILES
O=C(N[C@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)C[C@@H](O)C(=O)O)c1cn(O)nn1
InChIKey
WEHBLFHSQATLGT-RDTXWAMCSA-N
분자식
C20H18ClFN4O5
평균 분자량
448.8 g/mol

이름 및 식별자

우선 이름
(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-[1,2,3]triazole-4-carbonyl)amino]pentanoic Acid
IUPAC
(2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxy-4-[(1-hydroxytriazole-4-carbonyl)amino]pentanoic acid

이름 및 동의어

SCHEMBL9929622CHEMBL5800835WEHBLFHSQATLGT-RDTXWAMCSA-NBDBM459410US10759813, Example 19-6(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-[1,2,3]triazole-4-carbonyl)amino]pentanoic Acid(2R,4R)-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-1,2,3-triazole-4-carbonyl)amino]pentanoic acid

데이터베이스 식별자

PubChem CID
67969390
ChEMBL
CHEMBL5800835

물성

구조 계산 물성

XLogP
3.1
극성 표면적
138 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
31

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6건

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