Lanreotide acetate (108736-35-2 free base)
acetic acid;10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
| Molecular Formula | C56H73N11O12S2 |
|---|---|
| Molecular Weight | 1156.4 g/mol |
| Topological Polar Surface Area | 443.0 A2 |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 1155.4882 |
| Heavy Atoms | 81 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 2378114-72-6 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O |
| InChIKey | DEXPIBGCLCPUHE-UHFFFAOYSA-N |
📖 Product Overview
Lanreotide acetate (108736-35-2 free base) (CAS: 2378114-72-6) is a chemical compound with molecular formula C56H73N11O12S2 and molecular weight 1156.4 g/mol. Its IUPAC systematic name is acetic acid;10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
DEXPIBGCLCPUHE-UHFFFAOYSA-N.
SMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O.
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