Chem
J-GLOBAL ID:200907048568390035   Nikkaji number:J474.652J

(2S)-N-[(1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-4-[(hexahydro-4-methyl-1H-1,4-diazepin)-1-ylcarbonylamino]-5-methylhexyl]-2-[(S)-1-[4-(methoxymethoxy)-1-piperidinylcarbonyl]-2-phenylethoxy]hexanamide

(2S)-N-[(1S,2S,4S)-1-シクロヘキシルメチル-2-ヒドロキシ-4-[(ヘキサヒドロ-4-メチル-1H-1,4-ジアゼピン)-1-イルカルボニルアミノ]-5-メチルヘキシル]-2-[(S)-1-[4-(メトキシメトキシ)-1-ピペリジニルカルボニル]-2-フェニルエトキシ]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: C43H73N5O7
Molecular formula furigana: C43-H73-N5-O7
Molecular weight: 772.085
InChI: InChI=1S/C43H73N5O7/c1-6-7-19-39(55-40(29-34-17-12-9-13-18-34)42(51)47-24-20-35(21-25-47)54-31-53-5)41(50)44-37(28-33-15-10-8-11-16-33)38(49)30-36(32(2)3)45-43(52)48-23-14-22-46(4)26-27-48/h9,12-13,17-18,32-33,35-40,49H,6-8,10-11,14-16,19-31H2,1-5H3,(H,44,50)(H,45,52)/t36-,37-,38-,39-,40-/m0/s1
InChI key: UCUGLKMYNOKMNA-HECCNADXSA-N
SMILES: CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)N1CCCN(C)CC1)C(C)C
Systematic name  (3):
  • (2S)-N-[(1S,2S,4S)-1-シクロヘキシルメチル-2-ヒドロキシ-4-[(ヘキサヒドロ-4-メチル-1H-1,4-ジアゼピン)-1-イルカルボニルアミノ]-5-メチルヘキシル]-2-[(S)-1-[4-(メトキシメトキシ)-1-ピペリジニルカルボニル]-2-フェニルエトキシ]ヘキサンアミド
  • (2S)-N-[(2S,3S,5S)-1-シクロヘキシル-3-ヒドロキシ-6-メチル-5-[(4-メチル-1,4-ジアゼパン-1-カルボニル)アミノ]ヘプタン-2-イル]-2-{[(2S)-1-[4-(メトキシメトキシ)ピペリジン-1-イル]-1-オキソ-3-フェニルプロパン-2-イル]オキシ}ヘキサンアミド
  • (2S)-N-[(2S,3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]heptan-2-yl]-2-{[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxy}hexanamide
Other name (1):
  • (2S)-N-[(1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-4-[(hexahydro-4-methyl-1H-1,4-diazepin)-1-ylcarbonylamino]-5-methylhexyl]-2-[(S)-1-[4-(methoxymethoxy)-1-piperidinylcarbonyl]-2-phenylethoxy]hexanamide
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