Chem
J-GLOBAL ID:200907035259238259
Nikkaji number:J509.940D
N1 -[(1S,2S)-1-(Cyclohexylmethyl)-2-hydroxy-3-[(1,2-dihydro-2-oxopyridin)-1-yl]propyl]-Nα -[(2S)-3-phenyl-2-[[(4-aminopiperidino)carbonyl]oxy]propionyl]-S-methyl-L-cysteinamide
N1 -[(1S,2S)-1-(シクロヘキシルメチル)-2-ヒドロキシ-3-[(1,2-ジヒドロ-2-オキソピリジン)-1-イル]プロピル]-Nα -[(2S)-3-フェニル-2-[[(4-アミノピペリジノ)カルボニル]オキシ]プロピオニル]-S-メチル-L-システインアミド
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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 H49 N5 O6 S
Molecular formula furigana:
C34-H49-N5-O6-S
Molecular weight:
655.860
InChI:
InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
InChI key:
HYLLVLPQGWZUHR-KRCBVYEFSA-N
SMILES:
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O
Systematic name (3):
N1 -[(1S,2S)-1-(シクロヘキシルメチル)-2-ヒドロキシ-3-[(1,2-ジヒドロ-2-オキソピリジン)-1-イル]プロピル]-Nα -[(2S)-3-フェニル-2-[[(4-アミノピペリジノ)カルボニル]オキシ]プロピオニル]-S-メチル-L-システインアミド
(1S)-1-{[(1R)-1-{[(2S,3S)-1-シクロヘキシル-3-ヒドロキシ-4-(2-オキソ-1,2-ジヒドロピリジン-1-イル)ブタン-2-イル]カルバモイル}-2-(メチルスルファニル)エチル]カルバモイル}-2-フェニルエチル 4-アミノピペリジン-1-カルボキシラート
(1S)-1-{[(1R)-1-{[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxo-1,2-dihydropyridin-1-yl)butan-2-yl]carbamoyl}-2-(methylsulfanyl)ethyl]carbamoyl}-2-phenylethyl 4-aminopiperidine-1-carboxylate
Other name (1):
N1 -[(1S,2S)-1-(Cyclohexylmethyl)-2-hydroxy-3-[(1,2-dihydro-2-oxopyridin)-1-yl]propyl]-Nα -[(2S)-3-phenyl-2-[[(4-aminopiperidino)carbonyl]oxy]propionyl]-S-methyl-L-cysteinamide
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