Chem
J-GLOBAL ID：200907016328383881   Nikkaji number：J2.013.752E

N-(Pyrazine-2-ylcarbonyl)-L-Leu-L-Ile-3-cyclohexyl-L-Ala-[(3S)-2-oxo-3-ethyl-βAla-]-βAla-OH

N-(ピラジン-2-イルカルボニル)-L-Leu-L-Ile-3-シクロヘキシル-L-Ala-[(3S)-2-オキソ-3-エチル-βAla-]-βAla-OH
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： C34H53N7O8
Molecular formula furigana： C34-H53-N7-O8
Molecular weight： 687.839
InChI： InChI=1S/C34H53N7O8/c1-6-21(5)28(41-31(46)24(17-20(3)4)39-32(47)26-19-35-15-16-36-26)33(48)40-25(18-22-11-9-8-10-12-22)30(45)38-23(7-2)29(44)34(49)37-14-13-27(42)43/h15-16,19-25,28H,6-14,17-18H2,1-5H3,(H,37,49)(H,38,45)(H,39,47)(H,40,48)(H,41,46)(H,42,43)/t21-,23-,24-,25-,28-/m0/s1
InChI key： KNUPSKTYHADVRA-FTVGXNHISA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCCC(=O)O
Systematic name  (3)：
  • N-(ピラジン-2-イルカルボニル)-L-Leu-L-Ile-3-シクロヘキシル-L-Ala-[(3S)-2-オキソ-3-エチル-βAla-]-βAla-OH
  • 3-[(3S)-3-[(2S)-3-シクロヘキシル-2-[(2S,3S)-3-メチル-2-[(2S)-4-メチル-2-[(ピラジン-2-イル)ホルムアミド]ペンタンアミド]ペンタンアミド]プロパンアミド]-2-オキソペンタンアミド]プロパン酸
  • 3-[(3S)-3-[(2S)-3-cyclohexyl-2-[(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(pyrazin-2-yl)formamido]pentanamido]pentanamido]propanamido]-2-oxopentanamido]propanoic acid
Other name (1)：
  • N-(Pyrazine-2-ylcarbonyl)-L-Leu-L-Ile-3-cyclohexyl-L-Ala-[(3S)-2-oxo-3-ethyl-βAla-]-βAla-OH
Thsaurus map：
Thesaurus Map

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