기본 정보
- CAS
169305-63-9- 표준 SMILES
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCCn2ccnc2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1- InChIKey
MYGBLMSHDDZFGU-LOFFRUMASA-N- 분자식
- C42H55N7O7
- 평균 분자량
- 769.9 g/mol
- 단동위원소 질량
- 769.41629712
이름 및 식별자
- 우선 이름
- L-Lyxonamide, 2,4,5-trideoxy-N-(1-(((2-(1H-imidazol-1-yl)ethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-, (1(S),4(S))-
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-(2-imidazol-1-ylethylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
SDZ 283436169305-63-9CHEMBL144083L-Lyxonamide, 2,4,5-trideoxy-N-(1-(((2-(1H-imidazol-1-yl)ethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-, (1(S),4(S))-(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)valyl)amino)-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl)valine 2-(1-imidazol)ethylamide(2R,3S,4S)-N-[4-[[N-[(Benzyloxy)carbonyl]valyl]amino]-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl]valine 2-(1-imidazol)ethylamideL-Lyxonamide, 2,4,5-trideoxy-N-[1-[[[2-(1H-imidazol-1-yl)ethyl]amino]carbonyl]-2-methylpropyl]-2-[[(4-methoxyphenyl)methyl]amino]-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-5-phenyl-, [1(S),4(S)]-DTXSID00168694BDBM50407677Benzyl [(2S)-1-{[(2S,3R,4R)-3-hydroxy-5-{[(2S)-1-{[2-(1H-imidazol-1-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-4-{[(4-methoxyphenyl)methyl]amino}-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S)-1-(2-imidazol-1-ylethylcarbamoyl)-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,190
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