(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanoic acid, BCMA72-80
HIT218698047
sdf文件结构编辑类似物检索
HIT ID: HIT218698047
Cas No: 2293841-58-2
分子式: C59H97N13O11S
分子量: 1196.57
常用名: (2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanoic acid, BCMA72-80
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
InChI key: FSOIKNQUPDYWRH-KFAMUQCISA-N
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