20-O-Demethyl-AP3
HIT214324028
sdf文件结构编辑类似物检索
HIT ID: HIT214324028
Cas No: 72902-38-6
分子式: C31H41ClN2O9
分子量: 621.12
常用名: 20-O-Demethyl-AP3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl 2-methylpropanoate
IUPAC: (1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl 2-methylpropanoate
SMILES: [H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(O)c1Cl)OC(=O)C(C)C |c:17,t:19|
SMILES: [H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(O)c1Cl)OC(=O)C(C)C |c:17,t:19|
InChI key: YQVKSZNVVCIETH-CGTJILJCSA-N
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