PhAc-ALGP-Dox
HIT219200981
sdf文件结构编辑类似物检索
HIT ID: HIT219200981
Cas No: 1616592-31-4
分子式: C45H58N5O19P
分子量: 1003.949
常用名: PhAc-ALGP-Dox
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ({[(1S)-1-{[(1S)-1-({2-[(2S)-2-{[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)-3-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)phosphonic acid
IUPAC: ({[(1S)-1-{[(1S)-1-({2-[(2S)-2-{[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)-3-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)phosphonic acid
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CP(O)(O)=O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CP(O)(O)=O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
InChI key: QCFYQOZHDGXKKN-AAKRKBFRSA-N
共显示1个结果
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