Chem
J-GLOBAL ID:200907049479338387   Nikkaji number:J2.401.330H

L-Lys-L-Lys-L-Phe-N-(4-Aminobutyl)-Gly-L-Trp-L-Trp-L-Trp-N-(4-aminobutyl)-Gly-L-Phe-L-Lys-L-Lys-NH2

L-Lys-L-Lys-L-Phe-N-(4-アミノブチル)-Gly-L-Trp-L-Trp-L-Trp-N-(4-アミノブチル)-Gly-L-Phe-L-Lys-L-Lys-NH2
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: C87H123N21O11
Molecular formula furigana: C87-H123-N21-O11
Molecular weight: 1639.077
InChI: InChI=1S/C87H123N21O11/c88-39-17-13-32-65(94)80(112)102-70(37-15-19-41-90)82(114)105-75(48-58-27-5-2-6-28-58)86(118)107(45-23-21-43-92)56-78(110)100-73(49-59-52-96-66-33-10-7-29-62(59)66)84(116)104-74(50-60-53-97-67-34-11-8-30-63(60)67)85(117)106-76(51-61-54-98-68-35-12-9-31-64(61)68)87(119)108(46-24-22-44-93)55-77(109)99-72(47-57-25-3-1-4-26-57)83(115)103-71(38-16-20-42-91)81(113)101-69(79(95)111)36-14-18-40-89/h1-12,25-31,33-35,52-54,65,69-76,96-98H,13-24,32,36-51,55-56,88-94H2,(H2,95,111)(H,99,109)(H,100,110)(H,101,113)(H,102,112)(H,103,115)(H,104,116)(H,105,114)(H,106,117)/t65-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1
InChI key: ZGYDAKQYJVCLHU-YQGCAEQASA-N
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CCCCN)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N
Systematic name  (3):
  • L-Lys-L-Lys-L-Phe-N-(4-アミノブチル)-Gly-L-Trp-L-Trp-L-Trp-N-(4-アミノブチル)-Gly-L-Phe-L-Lys-L-Lys-NH2
  • (2S)-6-アミノ-N-[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-カルバモイルペンチル]カルバモイル}ペンチル]カルバモイル}-2-フェニルエチル]カルバモイル}メチル)(4-アミノブチル)カルバモイル]-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}メチル)(4-アミノブチル)カルバモイル]-2-フェニルエチル]-2-[(2S)-2,6-ジアミノヘキサンアミド]ヘキサンアミド
  • (2S)-6-amino-N-[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)(4-aminobutyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(4-aminobutyl)carbamoyl]-2-phenylethyl]-2-[(2S)-2,6-diaminohexanamido]hexanamide
Other name (1):
  • L-Lys-L-Lys-L-Phe-N-(4-Aminobutyl)-Gly-L-Trp-L-Trp-L-Trp-N-(4-aminobutyl)-Gly-L-Phe-L-Lys-L-Lys-NH2
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