BIRD-PRD_002311: ACE-MVA-MP8-NZC-LEU-MP8-LEU-MVA-PRO-MLU-GLY

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_002311
• 状態: 状態: REF ONLY
• 名称: ACE-MVA-MP8-NZC-LEU-MP8-LEU-MVA-PRO-MLU-GLY

BIRD information

• タイプ: ペプチド様 / 阻害剤
• ダウンロード: Molecular definition / Chemical definition

Chemical information

組成

組成式: C₅₇H₉₆N₁₀O₁₂ / 化学式量: 1113.432

• その他: タイプ: peptide-like

履歴

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

詳細

SMILES

• CACTVS 3.385: CC(C)C[CH]1NC(=O)[CH]2C[CH](C)CN2C(=O)[CH](CC(C)C)NC(=O)[CH]([CH](C)OC(=O)CNC(=O)[CH](CC(C)C)N(C)C(=O)[CH]3CCCN3C(=O)[CH](C(C)C)N(C)C1=O)N(C)C(=O)[CH]4C[CH](C)CN4C(=O)[CH](C(C)C)N(C)C(C)=O
• OpenEye OEToolkits 2.0.7: CC1CC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)N(C(C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N2C1)CC(C)C)N(C)C(=O)C4CC(CN4C(=O)C(C(C)C)N(C)C(=O)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C

SMILES CANONICAL

• CACTVS 3.385: CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(=O)CNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N(C)C1=O)N(C)C(=O)[C@@H]4C[C@@H](C)CN4C(=O)[C@H](C(C)C)N(C)C(C)=O
• OpenEye OEToolkits 2.0.7: C[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N3CCC[C@H]3C(=O)N([C@@H](C(=O)NCC(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2C1)CC(C)C)N(C)C(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)C)N(C)C(=O)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: (2~{S},4~{R})-1-[(2~{S})-2-[ethanoyl(methyl)amino]-3-methyl-butanoyl]-~{N},4-dimethyl-~{N}-[(3~{S},6~{S},9~{S},11~{R},15~{S},18~{S},19~{R},25~{R},28~{S})-4,11,19,26-tetramethyl-6,15,25-tris(2-methylpropyl)-2,5,8,14,17,21,24,27-octakis(oxidanylidene)-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.0^{9,13}]hentriacontan-18-yl]pyrrolidine-2-carboxamide #

PDBエントリ

全11件を表示しています

5agu

5ah2

6dj8

6djk

6dly

6dm6

6p81

6pth

6ptr

6ptv

8cix