Chem
J-GLOBAL ID：200907026259499274   Nikkaji number：J566.362H

A-80987

A-80987
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： C37H43N5O6
Molecular formula furigana： C37-H43-N5-O6
Molecular weight： 653.780
InChI： InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1
InChI key： SSIBMWPFXYSVEK-CUPIEXAXSA-N
SMILES： CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Systematic name  (3)：
  • N-[(S)-1-イソプロピル-2-オキソ-2-[[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[(3-ピリジニルメトキシ)カルボニル]アミノ]-5-フェニルペンチル]アミノ]エチル]カルバミン酸2-ピリジニルメチル
  • (ピリジン-3-イル)メチル N-[(2S,4S,5S)-4-ヒドロキシ-5-[(2S)-3-メチル-2-({[(ピリジン-2-イル)メトキシ]カルボニル}アミノ)ブタンアミド]-1,6-ジフェニルヘキサン-2-イル]カルバマート
  • (pyridin-3-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({[(pyridin-2-yl)methoxy]carbonyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (3)：
  • A-80987
  • N-[(S)-1-Isopropyl-2-oxo-2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(3-pyridinylmethoxy)carbonyl]amino]-5-phenylpentyl]amino]ethyl]carbamic acid 2-pyridinylmethyl ester
  • A 80987
CAS registry number： 144141-97-9
KEGG COMPOUND： C15661
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