Name: Anantin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847404
Cas No:133658-45-4
常用名:Anantin
IUPAC:(3S)-3-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{[(5S,8S,14S,20S,23S)-5-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,25-octaoxo-1,4,7,10,13,16,19,22-octaazacyclopentacosan-23-yl]formamido}-3-methylpentanamido]-3-phenylpropanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{[(5S,8S,14S,20S,23S)-5-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,25-octaoxo-1,4,7,10,13,16,19,22-octaazacyclopentacosan-23-yl]formamido}-3-methylpentanamido]-3-phenylpropanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
InChI key:PXMKNCAIFBQHPS-WKRAVPHXSA-N

分子式:C90H111N21O24
分子量:1871.001
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@@H](C)CC

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