Coproporphyrin I tetramethyl ester
HIT212761326
sdf文件结构编辑类似物检索
HIT ID: HIT212761326
Cas No: 25767-20-8
分子式: C40H46N4O8
分子量: 710.828
常用名: Coproporphyrin I tetramethyl ester
常用名: Coproporphyrin I tetramethyl ester
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 7.598609
IUPAC: methyl 3-[9,14,19-tris(3-methoxy-3-oxopropyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate
IUPAC: methyl 3-[9,14,19-tris(3-methoxy-3-oxopropyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate
SMILES: COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(C)c4CCC(=O)OC)c(C)c3CCC(=O)OC
SMILES: COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(C)c4CCC(=O)OC)c(C)c3CCC(=O)OC
InChI key: OVYASYKFNWTMII-QEMHYRKZSA-N
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