Chem
J-GLOBAL ID：200907086247128575   Nikkaji number：J438.982D

A-77003

A-77003
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： C44H58N8O6
Molecular formula furigana： C44-H58-N8-O6
Molecular weight： 794.998
InChI： InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1
InChI key： QPVWMQXBTCSLCB-BYAJYZPISA-N
SMILES： CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C
Systematic name  (4)：
  • N,N′-[(2S,3R,4S,5S)-1,6-ジフェニル-3,4-ジヒドロキシヘキサン-2,5-ジイル]ビス[Nα-[[メチル(2-ピリジルメチル)アミノ]カルボニル]-L-バリンアミド]
  • N,N′-[(1S,2R,3S,4S)-1,4-ジベンジル-2,3-ジヒドロキシブタン-1,4-ジイル]ビス[Nα-[(2-ピリジルメチル)(メチル)カルバモイル]-L-バリンアミド]
  • (2S)-N-[(2S,3S,4R,5S)-3,4-ジヒドロキシ-5-[(2S)-3-メチル-2-({メチル[(ピリジン-2-イル)メチル]カルバモイル}アミノ)ブタンアミド]-1,6-ジフェニルヘキサン-2-イル]-3-メチル-2-({メチル[(ピリジン-2-イル)メチル]カルバモイル}アミノ)ブタンアミド
  • (2S)-N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamide
Other name (3)：
  • A-77003
  • N,N′-[(1S,2R,3S,4S)-1,4-Dibenzyl-2,3-dihydroxybutane-1,4-diyl]bis[Nα-[(2-pyridylmethyl)(methyl)carbamoyl]-L-valinamide]
  • A 77003
CAS registry number： 134878-17-4
KEGG COMPOUND： C15660
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