Name: Ilatreotide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320475
Cas No:119719-11-8
常用名:Ilatreotide
别名:Sdz CO 611
IUPAC:10-(4-aminobutyl)-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-(3-phenyl-2-{[(2,3,5-trihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl]amino}propanamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
IUPAC:10-(4-aminobutyl)-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-(3-phenyl-2-{[(2,3,5-trihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl]amino}propanamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
InChI key:FYSDQQZUTAKKQX-UHFFFAOYSA-N

分子式:C61H86N10O20S2
分子量:1343.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NCC2(O)OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1
SMILES:CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NCC2(O)OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1

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