Chem
J-GLOBAL ID：200907087441942840   Nikkaji number：J1.541.415D

Cbz-3-Methyl-L-Val-[(3S,4S)-N2-(4-methoxybenzyl)-3-hydroxy-4-benzyl-D-A2bu*-]-L-Val-(2-hydroxy-4-methoxybenzyl)NH2

Cbz-3-メチル-L-Val-[(3S,4S)-N2-(4-メトキシベンジル)-3-ヒドロキシ-4-ベンジル-D-A2bu*-]-L-Val-(2-ヒドロキシ-4-メトキシベンジル)NH2
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： C46H59N5O9
Molecular formula furigana： C46-H59-N5-O9
Molecular weight： 826.004
InChI： InChI=1S/C46H59N5O9/c1-29(2)38(42(54)48-27-33-20-23-35(59-7)25-37(33)52)50-43(55)39(47-26-31-18-21-34(58-6)22-19-31)40(53)36(24-30-14-10-8-11-15-30)49-44(56)41(46(3,4)5)51-45(57)60-28-32-16-12-9-13-17-32/h8-23,25,29,36,38-41,47,52-53H,24,26-28H2,1-7H3,(H,48,54)(H,49,56)(H,50,55)(H,51,57)/t36-,38-,39+,40-,41+/m0/s1
InChI key： YRESVHUBNCFVEW-PUGMUCRHSA-N
SMILES： COc1ccc(CN[C@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccc(OC)cc2O)cc1
Systematic name  (4)：
  • Cbz-3-メチル-L-Val-[(3S,4S)-N2-(4-メトキシベンジル)-3-ヒドロキシ-4-ベンジル-D-A2bu*-]-L-Val-(2-ヒドロキシ-4-メトキシベンジル)NH2
  • Z-3-メチル-L-Val-[(2R,3S,4S)-2-(4-メトキシベンジルアミノ)-3-ヒドロキシ-4-アミノ*-5-フェニルバレリル]-L-Val-(2-ヒドロキシ-4-メトキシベンジル)NH2
  • ベンジル N-[(1S)-1-{[(2S,3S,4R)-3-ヒドロキシ-4-{[(1S)-1-{[(2-ヒドロキシ-4-メトキシフェニル)メチル]カルバモイル}-2-メチルプロピル]カルバモイル}-4-{[(4-メトキシフェニル)メチル]アミノ}-1-フェニルブタン-2-イル]カルバモイル}-2,2-ジメチルプロピル]カルバマート
  • benzyl N-[(1S)-1-{[(2S,3S,4R)-3-hydroxy-4-{[(1S)-1-{[(2-hydroxy-4-methoxyphenyl)methyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
Other name (2)：
  • Cbz-3-Methyl-L-Val-[(3S,4S)-N2-(4-methoxybenzyl)-3-hydroxy-4-benzyl-D-A2bu*-]-L-Val-(2-hydroxy-4-methoxybenzyl)NH2
  • Z-3-Methyl-L-Val-[(2R,3S,4S)-2-(4-methoxybenzylamino)-3-hydroxy-4-amino*-5-phenylvaleryl]-L-Val-(2-hydroxy-4-methoxybenzyl)NH2
Thsaurus map：
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