기본 정보
- CAS
144143-97-5- 표준 SMILES
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)c2ccccc12- InChIKey
FDCUUQDMGDDHFO-XMHGGMMESA-N- 분자식
- C27H26N2O4S
- 평균 분자량
- 474.6 g/mol
- 단동위원소 질량
- 474.16132849
개요
an angiotensin II receptor antagonist
이름 및 식별자
- 우선 이름
- SB-203220
- IUPAC
- 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid
이름 및 동의어
A9T9WVAH03SB-203220144143-97-5SB 2032202-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-RefChem:931350UNII-A9T9WVAH03CHEMBL97533a-((2-Butyl-1-((4-carboxynaphthyl)methyl)-1H-imidazole-5-yl)methylene)-2-thiophenepropanoic acidAlpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)-methylene)-2-thiophene-propanoic acidSCHEMBL6637138BDBM50282362
이름 더 보기
4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid(.ALPHA.E)-.ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-2-THIOPHENEPROPANOIC ACID2-THIOPHENEPROPANOIC ACID, .ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (.ALPHA.E)-2-THIOPHENEPROPANOIC ACID, .ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-naphthalene-1-carboxylic acid
데이터베이스 식별자
- CAS
144143-97-5- PubChem CID
- 9869504
- ChEMBL
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 744
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