Chem
J-GLOBAL ID：200907005905044402
Nikkaji number：J1.069.086B
Cecropin A(1-8)
セクロピンA(1-8)
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： C56H91N13O9
Molecular formula furigana： C56-H91-N13-O9
Molecular weight： 1090.426
InChI：
InChI=1S/C56H91N13O9/c1-5-36(4)48(56(77)78)69-52(73)44(26-14-18-30-60)63-50(71)42(24-12-16-28-58)64-54(75)46(32-37-19-7-6-8-20-37)68-53(74)45(31-35(2)3)67-51(72)43(25-13-17-29-59)65-55(76)47(66-49(70)40(61)22-11-15-27-57)33-38-34-62-41-23-10-9-21-39(38)41/h6-10,19-21,23,34-36,40,42-48,62H,5,11-18,22,24-33,57-61H2,1-4H3,(H,63,71)(H,64,75)(H,65,76)(H,66,70)(H,67,72)(H,68,74)(H,69,73)(H,77,78)/t36-,40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI key：
XHHLIAXJIVVVCQ-PPHAJUNGSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)O
Systematic name (3)：
- L-Lys-L-Trp-L-Lys-L-Leu-L-Phe-L-Lys-L-Lys-L-Ile-OH
- (2S,3S)-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-4-メチルペンタンアミド]-3-フェニルプロパンアミド]ヘキサンアミド]ヘキサンアミド]-3-メチルペンタン酸
- (2S,3S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-4-methylpentanamido]-3-phenylpropanamido]hexanamido]hexanamido]-3-methylpentanoic acid
- セクロピンA(1-8)
- Cecropin A(1-8)
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