AChRα(97-116)
HIT217584947
sdf文件结构编辑类似物检索
HIT ID: HIT217584947
Cas No: T83182
分子式: C106H162N24O30
分子量: 2252.6
常用名: AChRα(97-116)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]propanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanoic acid
IUPAC: (2S,3S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]propanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CC(O)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CC(O)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(O)=O
InChI key: UOCBSVMQACMEEE-ULEIWIRTSA-N
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