Name: Temporin G
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851731
Cas No:188713-78-2
常用名:Temporin G
IUPAC:(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylpentanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-N-({[(1S,2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)butanediamide
IUPAC:(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylpentanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-N-({[(1S,2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)butanediamide
InChI key:JCLVMSASJAPDDO-PGBXLKLLSA-N

分子式:C72H116N18O14
分子量:1457.832
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O

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