Chem
J-GLOBAL ID：201507062856595962
Nikkaji number：J3.391.385K
Nα-[[(2S,5S)-4-Benzyl-5-(α-aspartylaminomethyl)-3,6-dioxopiperazine-2-yl]acetyl]-N-tert-butyl-L-isoleucinamide
Nα-[[(2S,5S)-4-ベンジル-5-(α-アスパルチルアミノメチル)-3,6-ジオキソピペラジン-2-イル]アセチル]-N-tert-ブチル-L-イソロイシンアミド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C28H42N6O7
Molecular formula furigana： C28-H42-N6-O7
Molecular weight： 574.679
InChI：
InChI=1S/C28H42N6O7/c1-6-16(2)23(26(40)33-28(3,4)5)32-21(35)13-19-27(41)34(15-17-10-8-7-9-11-17)20(25(39)31-19)14-30-24(38)18(29)12-22(36)37/h7-11,16,18-20,23H,6,12-15,29H2,1-5H3,(H,30,38)(H,31,39)(H,32,35)(H,33,40)(H,36,37)/t16-,18-,19-,20-,23-/m0/s1
InChI key：
QOSIRQNYWJNZFB-WGLQCKHLSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)[C@H](CNC(=O)[C@@H](N)CC(=O)O)N(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C
Systematic name (3)：
- Nα-[[(2S,5S)-4-ベンジル-5-(α-アスパルチルアミノメチル)-3,6-ジオキソピペラジン-2-イル]アセチル]-N-tert-ブチル-L-イソロイシンアミド
- (3S)-3-アミノ-3-({[(2S,5S)-1-ベンジル-5-({[(1S,2S)-1-(tert-ブチルカルバモイル)-2-メチルブチル]カルバモイル}メチル)-3,6-ジオキソピペラジン-2-イル]メチル}カルバモイル)プロパン酸
- (3S)-3-amino-3-({[(2S,5S)-1-benzyl-5-({[(1S,2S)-1-(tert-butylcarbamoyl)-2-methylbutyl]carbamoyl}methyl)-3,6-dioxopiperazin-2-yl]methyl}carbamoyl)propanoic acid
- Nα-[[(2S,5S)-4-Benzyl-5-(α-aspartylaminomethyl)-3,6-dioxopiperazine-2-yl]acetyl]-N-tert-butyl-L-isoleucinamide
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