Tigecycline-d9
HIT217659758
sdf文件结构编辑类似物检索
HIT ID: HIT217659758
Cas No:
分子式: C29H39N5O8
分子量: 594.713
常用名: Tigecycline-d9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-(2-{[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]amino}acetamido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC: (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-(2-{[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]amino}acetamido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
SMILES: [2H]C([2H])([2H])C(NCC(=O)Nc1cc(N(C)C)c2C[C@H]3C[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)c2c1O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
SMILES: [2H]C([2H])([2H])C(NCC(=O)Nc1cc(N(C)C)c2C[C@H]3C[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)c2c1O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI key: FPZLLRFZJZRHSY-LCXUVLLNSA-N
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