Name: Bombolitin V
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212715198
Cas No:95648-98-9
常用名:Bombolitin V
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-[({[(1S,2S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-2-methylpropyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-[({[(1S,2S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-2-methylpropyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
InChI key:IOCWBJCCGSYJPN-SDXYAQEHSA-N

分子式:C81H144N22O19
分子量:1730.178
氢键供体数 (HBD):22
氢键受体数 (HBA):22
LogP:-3.8448713
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(N)=O

Bombolitin V is a mast cell degranulosic peptide from the venom of the bumblebee Megabombus Pennsylvanicus.

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