Name: Antho-rpamide II
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710909
Cas No:149471-13-6
常用名:Antho-rpamide II
别名:Glu-asn-phe-his-leu-arg-pro-NH2
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanediamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanediamide
InChI key:SWXGAISDRVQUKR-XIJWKTHWSA-N

分子式:C41H60N14O9
分子量:893.02
氢键供体数 (HBD):12
氢键受体数 (HBA):13
LogP:-5.071336
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O

Antho-rpamide II is a biologically active neuropeptide isolated from the sea anemone Anthopleura elegantissima.

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