BIRD-PRD_000309: L-leucyl-N-(2-oxopropyl)-L-phenylalaninamide

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_000309
• 状態: 状態: REF ONLY
• 名称: L-leucyl-N-(2-oxopropyl)-L-phenylalaninamide

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: C₂₆H₃₁N₅O₅ / 化学式量: 493.555

• 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: [N-]=[N+]=C/C(=O)CNC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2
• CACTVS 3.370: CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)NCC(=O)C=[N+]=[N-]
• OpenEye OEToolkits 1.7.6: CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)C=[N+]=[N-])NC(=O)OCc2ccccc2

SMILES CANONICAL

• CACTVS 3.370: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)C=[N+]=[N-]
• OpenEye OEToolkits 1.7.6: CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)C=[N+]=[N-])NC(=O)OCc2ccccc2

InChI

• InChI 1.03: InChI=1S/C26H31N5O5/c1-18(2)13-22(31-26(35)36-17-20-11-7-4-8-12-20)25(34)30-23(14-19-9-5-3-6-10-19)24(33)28-15-21(32)16-29-27/h3-12,16,18,22-23H,13-15,17H2,1-2H3,(H,28,33)(H,30,34)(H,31,35)/t22-,23-/m1/s1

InChIKey

• InChI 1.03: IUGUNYFKCMJXBV-DHIUTWEWSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-[(benzyloxy)carbonyl]-L-leucyl-N-(3-diazo-2-oxopropyl)-L-phenylalaninamide
• OpenEye OEToolkits 1.7.6: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[(3-diazo-2-oxidanylidene-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

PDBエントリ

全2件を表示しています

PDB-1khp:
Monoclinic form of papain/ZLFG-DAM covalent complex

PDB-1khq:
ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX