RA-XI
HIT214312524
sdf文件结构编辑类似物检索
HIT ID: HIT214312524
Cas No: 143277-27-4
分子式: C42H50N6O11
分子量: 814.893
常用名: RA-XI
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2^{18,21}.1^{23,27}]tritriaconta-18,20,23(31),24,26,32-hexaen-7-yl]propanoic acid
IUPAC: 3-[(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2^{18,21}.1^{23,27}]tritriaconta-18,20,23(31),24,26,32-hexaen-7-yl]propanoic acid
SMILES: COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
SMILES: COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
InChI key: JYSZOVOBXGDGIQ-YQPHQQCRSA-N
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