Chem
J-GLOBAL ID：200907000528789072   Nikkaji number：J2.013.750I

N-(Pyrazine-2-ylcarbonyl)-L-Leu-L-Ile-3-cyclohexyl-L-Ala-[(3S)-2-oxo-3-ethyl-βAla-]-Gly-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-]-Gly-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： C33H51N7O8
Molecular formula furigana： C33-H51-N7-O8
Molecular weight： 673.812
InChI： InChI=1S/C33H51N7O8/c1-6-20(5)27(40-30(45)23(15-19(3)4)38-31(46)25-17-34-13-14-35-25)32(47)39-24(16-21-11-9-8-10-12-21)29(44)37-22(7-2)28(43)33(48)36-18-26(41)42/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H,36,48)(H,37,44)(H,38,46)(H,39,47)(H,40,45)(H,41,42)/t20-,22-,23-,24-,27-/m0/s1
InChI key： MTSMEDVBUOTBEJ-DHXJALRNSA-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)NCC(=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-]-Gly-OH
  • 2-[(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]酢酸
  • 2-[(3S)-3-[(2S)-3-cyclohexyl-2-[(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(pyrazin-2-yl)formamido]pentanamido]pentanamido]propanamido]-2-oxopentanamido]acetic acid
Other name (1)：
  • N-(Pyrazine-2-ylcarbonyl)-L-Leu-L-Ile-3-cyclohexyl-L-Ala-[(3S)-2-oxo-3-ethyl-βAla-]-Gly-OH
Thsaurus map：
Thesaurus Map

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