Name: Cyanosafracin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840399
Cas No:96996-50-8
常用名:Cyanosafracin B
别名:氰基番红菌素 B, Cyanoquinonamine, CBR28-1
IUPAC:(2S)-2-amino-N-{[(1R,2S,10R,12R,13S)-12-cyano-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanamide
IUPAC:(2S)-2-amino-N-{[(1R,2S,10R,12R,13S)-12-cyano-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanamide
InChI key:BHINEHROXMLHMV-BVRLQDJESA-N

分子式:C29H35N5O6
分子量:549.628
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12Cc3cc(C)c(OC)c(O)c3[C@@]([H])(N1C)[C@]1([H])CC3=C([C@H](CNC(=O)[C@H](C)N)N1[C@H]2C#N)C(=O)C(OC)=C(C)C3=O |c:22,t:42,TLB:10:12:15:17.31.30,4:3:15:17.31.30,32:31:12.3.2:15,THB:19:17:12.3.2:15,16:15:12.3.2:17.31.30|
SMILES:[H][C@@]12Cc3cc(C)c(OC)c(O)c3[C@@]([H])(N1C)[C@]1([H])CC3=C([C@H](CNC(=O)[C@H](C)N)N1[C@H]2C#N)C(=O)C(OC)=C(C)C3=O |c:22,t:42,TLB:10:12:15:17.31.30,4:3:15:17.31.30,32:31:12.3.2:15,THB:19:17:12.3.2:15,16:15:12.3.2:17.31.30|

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