Name: Compound N060-0122
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT211716351
Cas No:-
常用名:Compound N060-0122
IUPAC:[(1S,4S,5R,6S,8R,9S,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-aminobenzoate
IUPAC:[(1S,4S,5R,6S,8R,9S,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-aminobenzoate
InChI key:NNDHDYDFEDRMGH-AUYKNQNDSA-N

分子式:C32H46N2O8
分子量:586.726
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:1.762
SMILES:CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)[C@@H]14 |TLB:35:29:25:22.23,1:2:40:18.16.17,33:32:25:22.23,THB:35:41:40:18.16.17,2:41:29.28.22:40.37,30:29:25:22.23|
SMILES:CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)[C@@H]14 |TLB:35:29:25:22.23,1:2:40:18.16.17,33:32:25:22.23,THB:35:41:40:18.16.17,2:41:29.28.22:40.37,30:29:25:22.23|

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