Sarpedobilin
HIT212718173
sdf文件结构编辑类似物检索
HIT ID: HIT212718173
Cas No: 39290-30-7
分子式: C33H34N4O6
分子量: 582.657
常用名: Sarpedobilin
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -1.4380492
IUPAC: 3-(17-{[(2Z)-4-(2-carboxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-6-hydroxy-8,12,18-trimethyl-1,5,16-triazapentacyclo[11.8.0.0^{2,11}.0^{4,8}.0^{15,19}]henicosa-2(11),3,6,9,12,14,16,18-octaen-7-yl)propanoic acid
IUPAC: 3-(17-{[(2Z)-4-(2-carboxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-6-hydroxy-8,12,18-trimethyl-1,5,16-triazapentacyclo[11.8.0.0^{2,11}.0^{4,8}.0^{15,19}]henicosa-2(11),3,6,9,12,14,16,18-octaen-7-yl)propanoic acid
SMILES: CC1=C(CCC(O)=O)C(=O)N\C1=C/C1=NC2=Cc3c(C)c4C=CC5(C)C(NC(O)=C5CCC(O)=O)=Cc4n3CCC2=C1C |c:1,22,29,36,45,t:14,16|
SMILES: CC1=C(CCC(O)=O)C(=O)N\C1=C/C1=NC2=Cc3c(C)c4C=CC5(C)C(NC(O)=C5CCC(O)=O)=Cc4n3CCC2=C1C |c:1,22,29,36,45,t:14,16|
InChI key: KARXBSJWEYNVBN-CFRMEGHHSA-N
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