HPPH
HIT212661654
sdf文件结构编辑类似物检索
HIT ID: HIT212661654
Cas No: 149402-51-7
分子式: C39H48N4O4
分子量: 636.837
常用名: HPPH
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 7.5516744
IUPAC: 3-[(21S,22S)-11-ethyl-16-[1-(hexyloxy)ethyl]-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
IUPAC: 3-[(21S,22S)-11-ethyl-16-[1-(hexyloxy)ethyl]-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
SMILES: CCCCCCOC(C)c1c(C)c2cc3nc([C@@H](CCC(O)=O)[C@@H]3C)c3CC(=O)c4c(C)c(cc5nc(cc1[nH]2)c(C)c5CC)[nH]c34
SMILES: CCCCCCOC(C)c1c(C)c2cc3nc([C@@H](CCC(O)=O)[C@@H]3C)c3CC(=O)c4c(C)c(cc5nc(cc1[nH]2)c(C)c5CC)[nH]c34
InChI key: PVXGCBZIVFCMJK-ZTOLYELGSA-N
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