β-Amyloid (13-27)
HIT218851964
sdf文件结构编辑类似物检索
HIT ID: HIT218851964
Cas No: 148270-13-7
分子式: C84H126N24O24
分子量: 1856.076
常用名: β-Amyloid (13-27)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-4-carbamoylbutanamido]hexanamido]-4-methylpentanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-phenylpropanamido]propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]-3-carbamoylpropanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-4-carbamoylbutanamido]hexanamido]-4-methylpentanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-phenylpropanamido]propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]-3-carbamoylpropanamido]hexanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: MDBUBHLZZZFIHI-WUFJUBMASA-N
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