Name: MV151
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909766
Cas No:945611-88-1
常用名:MV151
别名:MV 151
IUPAC:2,2-difluoro-5-(2-{[5-({5-[(5-{[1-({1-[(1-methanesulfonyl-5-methylhex-1-en-3-yl)carbamoyl]-3-methylbutyl}carbamoyl)-3-methylbutyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)pentyl]carbamoyl}ethyl)-12-(4-methoxyphenyl)-4,6-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:2,2-difluoro-5-(2-{[5-({5-[(5-{[1-({1-[(1-methanesulfonyl-5-methylhex-1-en-3-yl)carbamoyl]-3-methylbutyl}carbamoyl)-3-methylbutyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)pentyl]carbamoyl}ethyl)-12-(4-methoxyphenyl)-4,6-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:JNIDQOOVQFMCNR-UHFFFAOYSA-N

分子式:C59H91BF2N8O9S
分子量:1137.29
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C=CS(C)(=O)=O)c(C)n1[B-]2(F)F
SMILES:COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C=CS(C)(=O)=O)c(C)n1[B-]2(F)F

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