Agn-PC-0lotof
N-[3-(2-hydroxyethylamino)-3-oxopropyl]-11-[[4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]phenyl]methyl]-9-oxo-4,4-diphenyl-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide
Also Known As: AGN-PC-0LOTOF|SAD-E_002776|N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-2-({4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethen-1-yl]phenyl}methyl)-10-oxo-7,7-diphenylhexahydro-7H-5,3-(epoxymethano)[1,3]dioxolo[4,5-g][1,2]benzoxazole-3a(4H)-carboxamide
| Molecular Formula | C42H45N3O9 |
|---|---|
| Molecular Weight | 735.31555 g/mol |
| LogP | 3.3673 |
| Topological Polar Surface Area | 148.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 735.31555 |
| Monoisotopic Mass | 735.31555 |
| Heavy Atoms | 54 |
| Complexity | 1852.0342 |
Chemical Identifiers
| CAS Number | 6102-52-9 |
|---|---|
| SMILES | C1CC2C(O2)CC1C=CC3=CC=C(C=C3)CN4C5C(=O)OC6CC5(C(O4)C7C6OC(O7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCCC(=O)NCCO |
Product Overview
Agn-PC-0lotof (CAS 6102-52-9), with molecular formula C42H45N3O9 and molecular weight 735.31555 g/mol. IUPAC: N-[3-(2-hydroxyethylamino)-3-oxopropyl]-11-[[4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]phenyl]methyl]-9-oxo-4,4-diphenyl-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide.
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