Chem
J-GLOBAL ID：200907034082788974   Nikkaji number：J453.968K

(2S,4S,5S)-N-Isobutyl-5-[[N-(N-benzyloxycarbonyl-L-phenylalanyl)-L-norleucyl]amino]-2-ethyl-4-hydroxy-6-cyclohexylhexanamide

(2S,4S,5S)-N-イソブチル-5-[[N-(N-ベンジルオキシカルボニル-L-フェニルアラニル)-L-ノルロイシル]アミノ]-2-エチル-4-ヒドロキシ-6-シクロヘキシルヘキサンアミド
Substance type：
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
Molecular formula： C41H62N4O6
Molecular formula furigana： C41-H62-N4-O6
Molecular weight： 706.969
InChI： InChI=1S/C41H62N4O6/c1-5-7-23-34(43-40(49)36(25-31-19-13-9-14-20-31)45-41(50)51-28-32-21-15-10-16-22-32)39(48)44-35(24-30-17-11-8-12-18-30)37(46)26-33(6-2)38(47)42-27-29(3)4/h9-10,13-16,19-22,29-30,33-37,46H,5-8,11-12,17-18,23-28H2,1-4H3,(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t33-,34-,35-,36-,37-/m0/s1
InChI key： OMGSZFLBAUROIZ-LTLCPEALSA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](CC)C(=O)NCC(C)C
Systematic name  (3)：
  • (2S,4S,5S)-N-イソブチル-5-[[N-(N-ベンジルオキシカルボニル-L-フェニルアラニル)-L-ノルロイシル]アミノ]-2-エチル-4-ヒドロキシ-6-シクロヘキシルヘキサンアミド
  • ベンジル N-[(1S)-1-{[(1S)-1-{[(2S,3S,5S)-1-シクロヘキシル-5-エチル-3-ヒドロキシ-5-[(2-メチルプロピル)カルバモイル]ペンタン-2-イル]カルバモイル}ペンチル]カルバモイル}-2-フェニルエチル]カルバマート
  • benzyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5S)-1-cyclohexyl-5-ethyl-3-hydroxy-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamate
Other name (1)：
  • (2S,4S,5S)-N-Isobutyl-5-[[N-(N-benzyloxycarbonyl-L-phenylalanyl)-L-norleucyl]amino]-2-ethyl-4-hydroxy-6-cyclohexylhexanamide
Thsaurus map：
Thesaurus Map

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