Chem
J-GLOBAL ID：200907055912887722   Nikkaji number：J2.044.506H

MAGE-3(271-279)

Phe-Leu-Trp-Gly-Pro-Arg-Ala-Leu-Val-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： C53H79N13O10
Molecular formula furigana： C53-H79-N13-O10
Molecular weight： 1058.296
InChI： InChI=1S/C53H79N13O10/c1-29(2)23-39(63-46(69)36(54)25-33-15-9-8-10-16-33)49(72)64-41(26-34-27-58-37-18-12-11-17-35(34)37)47(70)59-28-43(67)66-22-14-20-42(66)51(74)61-38(19-13-21-57-53(55)56)48(71)60-32(7)45(68)62-40(24-30(3)4)50(73)65-44(31(5)6)52(75)76/h8-12,15-18,27,29-32,36,38-42,44,58H,13-14,19-26,28,54H2,1-7H3,(H,59,70)(H,60,71)(H,61,74)(H,62,68)(H,63,69)(H,64,72)(H,65,73)(H,75,76)(H4,55,56,57)/t32-,36-,38-,39-,40-,41-,42-,44-/m0/s1
InChI key： PQGCYSRGXCORLN-RJXLGPPMSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O
Systematic name  (4)：
  • Phe-Leu-Trp-Gly-Pro-Arg-Ala-Leu-Val-OH
  • L-Phe-L-Leu-L-Trp-Gly-L-Pro-L-Arg-L-Ala-L-Leu-L-Val-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]アセチル}ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]プロパンアミド]-4-メチルペンタンアミド]-3-メチルブタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]acetyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]propanamido]-4-methylpentanamido]-3-methylbutanoic acid
Other name (1)：
  • MAGE-3(271-279)
KEGG COMPOUND： C15938
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