Pyroporphyrin dimethyl ester
HIT217601913
sdf文件结构编辑类似物检索
HIT ID: HIT217601913
Cas No: 10589-94-3
分子式: C32H34N4O4
分子量: 538.648
常用名: Pyroporphyrin dimethyl ester
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate
IUPAC: methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate
SMILES: COC(=O)CCc1c(C)c2cc3[nH]c(cc3C)cc3nc(cc3C)cc3[nH]c(cc1n2)c(CCC(=O)OC)c3C
SMILES: COC(=O)CCc1c(C)c2cc3[nH]c(cc3C)cc3nc(cc3C)cc3[nH]c(cc1n2)c(CCC(=O)OC)c3C
InChI key: JDWKDJYBNJTDOW-RWJCOFQGSA-N
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