Coproporphyrin III dihydrochloride
HIT218849796
sdf文件结构编辑类似物检索
HIT ID: HIT218849796
Cas No: 68938-73-8
分子式: C36H40Cl2N4O8
分子量: 727.64
常用名: Coproporphyrin III dihydrochloride
常用名: Coproporphyrin III dihydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid dihydrochloride
IUPAC: 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid dihydrochloride
SMILES: Cl.Cl.Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(C)c3CCC(O)=O
SMILES: Cl.Cl.Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(C)c3CCC(O)=O
InChI key: VIRAXXYOIOHYLI-UHFFFAOYSA-N
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