Name: Compound T128768
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT102370366
Cas No:
常用名:Compound T128768
别名:12-benzyl-21-(butan-2-yl)-15-(1-hydroxyethyl)-9-(hydroxymethyl)-18-methyl-3,6-bis(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone
别名:12-benzyl-21-(butan-2-yl)-15-(1-hydroxyethyl)-9-(hydroxymethyl)-18-methyl-3,6-bis(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone
IUPAC:12-benzyl-21-(butan-2-yl)-15-(1-hydroxyethyl)-9-(hydroxymethyl)-18-methyl-3,6-bis(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone
IUPAC:12-benzyl-21-(butan-2-yl)-15-(1-hydroxyethyl)-9-(hydroxymethyl)-18-methyl-3,6-bis(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone
InChI key:HUYBXPCAAYRGAT-UHFFFAOYSA-N

分子式:C42H66N8O10
分子量:843.036
氢键供体数 (HBD):9
氢键受体数 (HBA):10
LogP:-0.2
SMILES:CCC(C)C1NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C1=O)C(C)O
SMILES:CCC(C)C1NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C1=O)C(C)O

12-benzyl-21-(butan-2-yl)-15-(1-hydroxyethyl)-9-(hydroxymethyl)-18-methyl-3,6-bis(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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