Safracin B
HIT214317391
sdf文件结构编辑类似物检索
HIT ID: HIT214317391
Cas No: 87578-99-2
分子式: C28H36N4O7
分子量: 540.617
常用名: Safracin B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-amino-N-{[(1R,2S,10R,12S,13S)-12,19-dihydroxy-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(20),16,18-pentaen-10-yl]methyl}propanamide
IUPAC: (2S)-2-amino-N-{[(1R,2S,10R,12S,13S)-12,19-dihydroxy-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(20),16,18-pentaen-10-yl]methyl}propanamide
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]2O)C(=O)C(OC)=C(C)C3=O |c:22,t:41,TLB:10:12:15:17.30.31,4:3:15:17.30.31,THB:19:17:15:2.3.12,32:31:15:2.3.12|
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]2O)C(=O)C(OC)=C(C)C3=O |c:22,t:41,TLB:10:12:15:17.30.31,4:3:15:17.30.31,THB:19:17:15:2.3.12,32:31:15:2.3.12|
InChI key: GKUZBRIJGIGFKC-DODRDYGUSA-N
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