Name: Cerebellin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218851994
Cas No:94071-26-8
常用名:Cerebellin
IUPAC:(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-hydroxypropanamido]propanamido]hexanamido]-3-methylbutanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-5-yl)propanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-hydroxypropanamido]propanamido]hexanamido]-3-methylbutanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-5-yl)propanoic acid
InChI key:ADHFFUOAOLWHGU-JPDUFPOXSA-N

分子式:C69H113N23O23
分子量:1632.801
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O

Cerebellin is a 16-amino acid peptide, originally isolated from rat cerebellum, whose presence has been recently demonstrated in the human adrenal glands and especially in medullary chromaffin cells.

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