Name: SNA 60-367-18
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212524642
Cas No:193738-78-2
常用名:SNA 60-367-18
IUPAC:4-[(4-amino-1-{[4-(butan-2-yl)-10-(2-carbamoylethyl)-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-19-(propan-2-yl)-2-oxa-5,8,11,17,20,23,26-heptaazatricyclo[28.2.2.0^{13,17}]tetratriaconta-1(32),30,33-trien-28-yl]carbamoyl}butyl)carbamoyl]-4-hexadecanamidobutanoic acid
IUPAC:4-[(4-amino-1-{[4-(butan-2-yl)-10-(2-carbamoylethyl)-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-19-(propan-2-yl)-2-oxa-5,8,11,17,20,23,26-heptaazatricyclo[28.2.2.0^{13,17}]tetratriaconta-1(32),30,33-trien-28-yl]carbamoyl}butyl)carbamoyl]-4-hexadecanamidobutanoic acid
InChI key:NGDNPQANYNDBAJ-UHFFFAOYSA-N

分子式:C74H114N12O19
分子量:1475.791
氢键供体数 (HBD):15
氢键受体数 (HBA):19
LogP:0.587
SMILES:CCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(OC(=O)C(NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CCC(N)=O)NC(=O)C3CCCN3C(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(NC1=O)C(C)O)C(C)C)C(C)CC)cc2
SMILES:CCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(OC(=O)C(NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CCC(N)=O)NC(=O)C3CCCN3C(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(NC1=O)C(C)O)C(C)C)C(C)CC)cc2

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