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