Name: Mram 8
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851778
Cas No:1803183-45-0
常用名:Mram 8
IUPAC:3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43,49-bis(4-aminobutyl)-91-benzyl-22,64,88-tris[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-28-(carbamoylmethyl)-73-[(1R)-1-hydroxyethyl]-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-67-methyl-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,94-bis(propan-2-yl)-98,99,102,103,106,107-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontaazahexacyclo[50.44.4.4^{13,58}.4^{37,79}.0^{16,20}.0^{82,86}]108n-7-yl]propanoic acid
IUPAC:3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43,49-bis(4-aminobutyl)-91-benzyl-22,64,88-tris[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-28-(carbamoylmethyl)-73-[(1R)-1-hydroxyethyl]-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-67-methyl-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,94-bis(propan-2-yl)-98,99,102,103,106,107-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontaazahexacyclo[50.44.4.4^{13,58}.4^{37,79}.0^{16,20}.0^{82,86}]108n-7-yl]propanoic acid
InChI key:XVAOBCOSDVJHPL-UEKXDGTLSA-N

分子式:C132H208N36O39S6
分子量:3115.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@]4([H])CCCN4C(=O)[C@@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC3=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)[C@@H](C)CC
SMILES:[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@]4([H])CCCN4C(=O)[C@@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC3=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)[C@@H](C)CC

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