Chem
J-GLOBAL ID：200907062894870201
Nikkaji number：J2.070.210I
Lys-Leu-Ile-Lys-Gly-Arg-Thr-Pro-Ile-Lys-Phe-Gly-Lys-OH
Lys-Leu-Ile-Lys-Gly-Arg-Thr-Pro-Ile-Lys-Phe-Gly-Lys-OH
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
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
Molecular formula： C70H124N20O15
Molecular formula furigana： C70-H124-N20-O15
Molecular weight： 1485.887
InChI：
InChI=1S/C70H124N20O15/c1-8-42(5)56(87-64(99)51(37-41(3)4)85-59(94)46(75)25-13-17-31-71)66(101)83-47(26-14-18-32-72)60(95)79-39-54(92)81-48(29-21-35-78-70(76)77)63(98)89-58(44(7)91)68(103)90-36-22-30-53(90)65(100)88-57(43(6)9-2)67(102)84-49(27-15-19-33-73)62(97)86-52(38-45-23-11-10-12-24-45)61(96)80-40-55(93)82-50(69(104)105)28-16-20-34-74/h10-12,23-24,41-44,46-53,56-58,91H,8-9,13-22,25-40,71-75H2,1-7H3,(H,79,95)(H,80,96)(H,81,92)(H,82,93)(H,83,101)(H,84,102)(H,85,94)(H,86,97)(H,87,99)(H,88,100)(H,89,98)(H,104,105)(H4,76,77,78)/t42-,43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1
InChI key：
OQNFTGQQRJAYEN-KWCWJKQRSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- Lys-Leu-Ile-Lys-Gly-Arg-Thr-Pro-Ile-Lys-Phe-Gly-Lys-OH
- (2S)-6-アミノ-2-{2-[(2S)-2-[(2S)-6-アミノ-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-{2-[(2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-4-メチルペンタンアミド]-3-メチルペンタンアミド]ヘキサンアミド]アセトアミド}-5-カルバムイミドアミドペンタンアミド]-3-ヒドロキシブタノイル]ピロリジン-2-イル]ホルムアミド}-3-メチルペンタンアミド]ヘキサンアミド]-3-フェニルプロパンアミド]アセトアミド}ヘキサン酸
- (2S)-6-amino-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-methylpentanamido]hexanamido]acetamido}-5-carbamimidamidopentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]hexanamido]-3-phenylpropanamido]acetamido}hexanoic acid
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