BIRD-PRD_002290: Tyrocidine A analogue (DPN)(BE2)F(DPN)NKYV(ORN)L

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_002290
• 状態: 状態: REF ONLY
• 名称: Tyrocidine A analogue (DPN)(BE2)F(DPN)NKYV(ORN)L

BIRD information

• タイプ: 環状ペプチド / 抗生剤

詳細

• Tyrocidine kills bacteria by interacting with their cytoplasmic membrane and causing leakage of their intracellular content. It also affects intracellular membranes such as those of mitochondria

• ダウンロード: Molecular definition / Chemical definition

由来

• Brevibacillus brevis (バクテリア), Norine: NOR00298

Chemical information

組成

組成式: C₆₉H₉₀N₁₃O₁₂ / 化学式量: 1293.533

• その他: タイプ: peptide-like

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: N1C(C(=O)Nc5c(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCN)C(=O)NC(C1=O)CC(C)C)C(C)C)Cc2ccc(cc2)O)CCCC[NH3+])CC(=O)N)Cc3ccccc3)Cc4ccccc4)cccc5)Cc6ccccc6
• CACTVS 3.385: CC(C)C[CH]1NC(=O)[CH](CCCN)NC(=O)[CH](NC(=O)[CH](Cc2ccc(O)cc2)NC(=O)[CH](CCCC[NH3+])NC(=O)[CH](CC(N)=O)NC(=O)[CH](Cc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC(=O)c5ccccc5NC(=O)[CH](Cc6ccccc6)NC1=O)C(C)C
• OpenEye OEToolkits 2.0.6: CC(C)CC1C(=O)NC(C(=O)Nc2ccccc2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)Cc3ccc(cc3)O)CCCC[NH3+])CC(=O)N)Cc4ccccc4)Cc5ccccc5)Cc6ccccc6

SMILES CANONICAL

• CACTVS 3.385: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)c5ccccc5NC(=O)[C@@H](Cc6ccccc6)NC1=O)C(C)C
• OpenEye OEToolkits 2.0.6: CC(C)C[C@H]1C(=O)N[C@@H](C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)Cc3ccc(cc3)O)CCCC[NH3+])CC(=O)N)Cc4ccccc4)Cc5ccccc5)Cc6ccccc6

SYSTEMATIC NAME

• ACDLabs 12.01: 4-[(3R,6S,9S,12S,15S,18S,21S,24R,27S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-(propan-2-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29-octacosahydro-1H-1,4,7,10,13,16,19,22,25,28-benzodecaazacyclohentriacontin-18-yl]butan-1-aminium
• OpenEye OEToolkits 2.0.6: 4-[(4~{R},7~{S},10~{S},13~{S},16~{S},19~{S},22~{S},25~{R},28~{S})-22-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanylpropyl)-16-[(4-hydroxyphenyl)methyl]-7-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decakis(oxidanylidene)-4,25,28-tris(phenylmethyl)-13-propan-2-yl-2,5,8,11,14,17,20,23,26,29-decazabicyclo[29.4.0]pentatriaconta-1(31),32,34-trien-19-yl]butylazanium

PDBエントリ

全1件を表示しています

PDB-6b35:
NMR ensemble of Tyrocidine A analogue AC3.28