Romidepsin
HIT212651189
sdf文件结构编辑类似物检索
HIT ID: HIT212651189
Cas No: 128517-07-7
分子式: C24H36N4O6S2
分子量: 540.69
常用名: Romidepsin
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 1.0779514
IUPAC: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
IUPAC: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
SMILES: C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |t:12|
SMILES: C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |t:12|
InChI key: OHRURASPPZQGQM-GCCNXGTGSA-N
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