Chem
J-GLOBAL ID:200907004196042984
Nikkaji number:J467.382D
(3S)-4-Cyclohexyl-3-[[(2S)-2-[[(2S)-2-[(2,3-dihydro-1-oxo-1H-isoindol)-2-yl]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxybutyric acid methyl ester
メチル (3S)-4-シクロヘキシル-2-ヒドロキシ-3-[(2S)-4-メチル-2-[(2S)-2-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-3-フェニルプロパンアミド]ペンタンアミド]ブタノアート
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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:
C34 H45 N3 O6
Molecular formula furigana:
C34-H45-N3-O6
Molecular weight:
591.749
InChI:
InChI=1S/C34H45N3O6/c1-22(2)18-28(31(39)35-27(30(38)34(42)43-3)19-23-12-6-4-7-13-23)36-32(40)29(20-24-14-8-5-9-15-24)37-21-25-16-10-11-17-26(25)33(37)41/h5,8-11,14-17,22-23,27-30,38H,4,6-7,12-13,18-21H2,1-3H3,(H,35,39)(H,36,40)/t27-,28-,29-,30?/m0/s1
InChI key:
QEVLWPXEGNYRMI-UNVCSADESA-N
SMILES:
COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
Systematic name (3):
(3S)-4-シクロヘキシル-3-[[(2S)-2-[[(2S)-2-[(2,3-ジヒドロ-1-オキソ-1H-イソインドール)-2-イル]-3-フェニルプロパノイル]アミノ]-4-メチルペンタノイル]アミノ]-2-ヒドロキシ酪酸メチル
メチル (3S)-4-シクロヘキシル-2-ヒドロキシ-3-[(2S)-4-メチル-2-[(2S)-2-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-3-フェニルプロパンアミド]ペンタンアミド]ブタノアート
methyl (3S)-4-cyclohexyl-2-hydroxy-3-[(2S)-4-methyl-2-[(2S)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]pentanamido]butanoate
Other name (1):
(3S)-4-Cyclohexyl-3-[[(2S)-2-[[(2S)-2-[(2,3-dihydro-1-oxo-1H-isoindol)-2-yl]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxybutyric acid methyl ester
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