Name: Antiflammin P2
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212710732
Cas No:118850-72-9
常用名:Antiflammin P2
别名:His-asp-met-asn-lys-val-leu-asp-leu, Hdmnkvldl, Antiflamin 2
别名:His-asp-met-asn-lys-val-leu-asp-leu, Hdmnkvldl, Antiflamin 2
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanoic acid
InChI key:MSFJEXCKZQTGKA-KSALCKNPSA-N

分子式:C46H77N13O15S
分子量:1084.26
氢键供体数 (HBD):15
氢键受体数 (HBA):18
LogP:-10.378824
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

Antiflammin P2 is a nonapeptide fragment of lipocortin I which has no phospholipase A2 inhibitory and anti-inflammatory activity.

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