Name: Troponin I (104-115)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212710418
Cas No:98353-69-6
常用名:Troponin I (104-115)
别名:Tni peptide (104-115), Ac-Gly-lys-phe-lys-arg-pro-pro-leu-arg-arg-val-arg-NH2
别名:Tni peptide (104-115), Ac-Gly-lys-phe-lys-arg-pro-pro-leu-arg-arg-val-arg-NH2
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-[(2S)-2-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]-2-(2-acetamidoacetamido)hexanamide
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-[(2S)-2-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]-2-(2-acetamidoacetamido)hexanamide
InChI key:RIGIYQFULOLFNC-DNCXWKQBSA-N

分子式:C70H123N27O13
分子量:1550.93
氢键供体数 (HBD):25
氢键受体数 (HBA):27
LogP:-7.598779
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

Troponin I is a cardiac and skeletal muscle protein useful in the laboratory diagnosis of a heart attack. Troponin I is a part of the troponin protein complex, where it binds to actin in thin myofilaments to hold the actin-tropomyosin complex in place.

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