Sex pheromone inhibitor iad1

HCID 127987CAS 101848-26-4

基本情報

標準SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C
InChIKey: HHLGIVVEXQRCLK-GSNOCNGZSA-N
分子式: C42H70N8O10
平均分子量: 847.1 g/mol
単同位体質量: 846.52149044

概要

Enterococcus faecalis plasmid pAD1 encodes a mating response to peptide cAD1 (see record for cAD1 bacterial sex hormone); shuts down production of cAD1 and encodes the secretion of peptide iAD1 which acts as a competitive inhibitor of cAD1

名称と識別子

優先名称: Sex pheromone inhibitor iad1
IUPAC: 2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetic acid
英語名: 2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-am ino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butan oyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl -pentanoyl]amino]-3-methyl-butanoyl]amino]acetic acid
分子式: C42H70N8O10
分子量: 0

名称と別名

Sex pheromone inhibitor iad1101848-26-4Leu-phe-val-val-thr-leu-val-gly-OHDTXSID60144272Leucyl-phenylalanyl-valyl-valyl-threonyl-leucyl-valyl-glycineRefChem:182635DTXCID80667632-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetic acid2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-am ino-4-methyl-pentanoyl]amino]N-(N-(N-(N-(N-(N-(N-L-Leucyl-L-phenylalanyl)-L-valyl)-L-valyl)-L-threonyl)-L-leucyl)-L-valyl)glycineL-Leucyl-L-phenylalanyl-L-valyl-L-valyl-L-threonyl-L-leucyl-L-valylglycineGlycine, N-(N-(N-(N-(N-(N-(N-L-leucyl-L-phenylalanyl)-L-valyl)-L-valyl)-L-threonyl)-L-leucyl)-L-valyl)-

名称をさらに表示

2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-am ino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butan oyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl -pentanoyl]amino]-3-methyl-butanoyl]amino]acetic acid

Glycine, N-[N-[N-[N-[N-[N-(N-L-leucyl-L-phenylalanyl)-L-valyl]-L-valyl]-L-threonyl]-L-leucyl]-L-valyl]- (9CI)

データベース識別子

CAS: 101848-26-4
PubChem CID: 127987
DTXSID: DTXSID60144272

物性

構造計算による物性

XLogP: 0.5
極性表面積: 287 Å²
水素結合供与体数: 10
水素結合受容体数: 11
回転可能結合数: 25
重原子数: 60
形式電荷: 0
複雑度: 1,450

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