Name: Diazepam-Binding Inhibitor Fragment, human
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT219422923
Cas No:104360-70-5
常用名:Diazepam-Binding Inhibitor Fragment, human
常用名:Diazepam-Binding Inhibitor Fragment, human
IUPAC:(2S)-6-amino-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanamido]acetamido}-3-carboxypropanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}hexanoic acid
IUPAC:(2S)-6-amino-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanamido]acetamido}-3-carboxypropanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}hexanoic acid
InChI key:PSOBBHKVPGYREN-SQOVXNCQSA-N

分子式:C91H148N26O32S
分子量:2150.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O

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