기본 정보
- CAS
169305-70-8- 표준 SMILES
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2ccc(OC)cc2O)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncs2)C(C)(C)C)cc1- InChIKey
YBWPZLNOGAMBKC-RCNBIBPKSA-N- 분자식
- C42H55N7O8S2
- 평균 분자량
- 850.1 g/mol
- 단동위원소 질량
- 849.35535409
이름 및 식별자
- 우선 이름
- L-Lyxonamide, 2,4,5-trideoxy-4-((3,3-dimethyl-1-oxo-2-(((1,3,4-thiadiazol-2-ylthio)acetyl)amino)butyl)amino)-N-(1-((((2-hydroxy-4-methoxyphenyl)methyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-, (1(S),4(S))-
- IUPAC
- (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]butanamide
이름 및 동의어
169305-70-8L-Lyxonamide, 2,4,5-trideoxy-4-((3,3-dimethyl-1-oxo-2-(((1,3,4-thiadiazol-2-ylthio)acetyl)amino)butyl)amino)-N-(1-((((2-hydroxy-4-methoxyphenyl)methyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-, (1(S),4(S))-(2R,3S,4S)-N-(4-(3-hydroxy-2-(4-methoxybenzylamino)((N-((5-methyl-1,3,4,-thiadiazol-2-thioacetyl)tert.leucinyl)amino)-5-phenylpentanoyl)valine 2-Hydroxy-4-methoxybenzylamide(2R,3S,4S)-N-[4-[3-hydroxy-2-(4-methoxybenzylamino)[[N-[(5-methyl-1,3,4,-thiadiazol-2-thioacetyl)tert.leucinyl]amino]-5-phenylpentanoyl]valine 2-Hydroxy-4-methoxybenzylamideL-Lyxonamide, 2,4,5-trideoxy-4-[[3,3-dimethyl-1-oxo-2-[[(1,3,4-thiadiazol-2-ylthio)acetyl]amino]butyl]amino]-N-[1-[[[(2-hydroxy-4-methoxyphenyl)methyl]amino]carbonyl]-2-methylpropyl]-2-[[(4-methoxyphenyl)methyl]amino]-5-phenyl-, [1(S),4(S)]-DTXSID50168700(2R,3R,4S)-4-[(2S)-3,3-Dimethyl-2-{2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}butanamido]-3-hydroxy-N-[(2S)-1-{[(2-hydroxy-4-methoxyphenyl)methyl]amino}-3-methyl-1-oxobutan-2-yl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 267 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,310
관련 반응
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