기본 정보
- 표준 SMILES
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1- InChIKey
TXKNTECYPPKEIK-QHCPKHFHSA-N- 분자식
- C27H27N3O5
- 평균 분자량
- 473.5 g/mol
이름 및 식별자
- 우선 이름
- (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- IUPAC
- (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
이름 및 동의어
CHEMBL174225L-Tyrosine, N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-(2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid(S)-2-([1-(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol-5-yl)methanoyl]amino}-3-(4-hydroxyphenyl)propionic Acid(s)-2-{[1-(1-cyclohexyl-2-furan-3-yl-1h-benzoimidazol-5-yl)methanoyl]amino}-3-(4-hydroxyphenyl)propionic acidSCHEMBL5107959TXKNTECYPPKEIK-QHCPKHFHSA-NBDBM50142064(S)-2-[(1-cyclohexyl-2-furan-3-yl-1H-benzimidazole-5-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid(S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid(S)2-([1-(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol-5-yl)methanoyl]amino)-3-(4-hydroxyphenyl)propionic acid
데이터베이스 식별자
- PubChem CID
- 490759
- ChEMBL
CHEMBL174225
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 736
관련 반응
3건
화합물 노트
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