基本情報
- CAS
161510-48-1- 標準SMILES
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1- InChIKey
KBJQJFKYZIHRHM-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 282395
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
名称と別名
161510-48-1SDZ 282395SDZ-282395(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-asparagyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID50167177L-Lyxonamide, 4-((4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2,4,5-trideoxy-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-L-Lyxonamide, 4-[[4-amino-1,4-dioxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2,4,5-trideoxy-N-[2-methyl-1-[[(phenylmethyl)amino]carbonyl]propyl]-5-phenyl-2-[(phenylmethyl)amino]-, [1(S),4(S)]-RefChem:380032DTXCID8089668Statine deriv. 26benzyl N-[(2S)-4-amino-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamateBDBM946
名称をさらに表示
CHEMBL319419orb1695241Asn-Val-Sta, 5PhBuCOOH deriv.AKOS040753994T34594(2R,3S,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]-L-asparagyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-4-amino-1-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-1,4-dioxobutan-2-yl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]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
関連反応
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