基本情報
- CAS
161510-53-8- 標準SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1- InChIKey
TVDFBDUUUUHTCI-IPCDWFNJSA-N- 分子式
- C42H50N6O7
- 平均分子量
- 750.9 g/mol
- 単同位体質量
- 750.37409796
名称と識別子
- 優先名称
- Sdz 282349
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-4-amino-1-(benzylamino)-1,4-dioxobutan-2-yl]amino]-4-(benzylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
SDZ 282349SDZ-282349161510-53-8(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-asparagine benzylamideDTXSID00167182L-Lyxonamide, N-(3-amino-3-oxo-1-(((phenylmethyl)amino)carbonyl)propyl)-2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-L-Lyxonamide, N-[3-amino-3-oxo-1-[[(phenylmethyl)amino]carbonyl]propyl]-2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-5-phenyl-2-[(phenylmethyl)amino]-, [1(S),4(S)]-RefChem:380031DTXCID7089673Statine deriv. 34BDBM971CHEMBL105188
名称をさらに表示
Val-Asn-Sta, 5PhBuCOOH deriv.(2R,3S,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]-L-valyl]amino]-3-hydroxy-5- phenylpentanoyl]-L-asparagine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-4-amino-1-(benzylamino)-1,4-dioxobutan-2-yl]amino}-4-(benzylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-4-[[(1S)-3-amino-1-(benzylcarbamoyl)-3-oxo-propyl]amino]-1-benzyl-3-(benzylamino)-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-carbamoylethyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 201 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 8
- 回転可能結合数
- 21
- 重原子数
- 55
- 形式電荷
- 0
- 複雑度
- 1,190
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