Name: Bik BH3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218851664
Cas No:505070-08-6
常用名:Bik BH3
IUPAC:(4S)-4-[(2S)-2-{2-[(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]acetamido}-3-hydroxypropanamido]-3-carboxypropanamido]propanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]propanamido]-3-sulfanylpropanamido]-3-methylpentanamido]acetamido}-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-{2-[(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]acetamido}-3-hydroxypropanamido]-3-carboxypropanamido]propanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]propanamido]-3-sulfanylpropanamido]-3-methylpentanamido]acetamido}-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
InChI key:JMIMHPONHLDYMG-JNQIXXGGSA-N

分子式:C86H145N23O32S3
分子量:2109.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O

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