SQ 30741
(Z)-7-[(1S,2R,3R,4R)-3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Also Known As: SQ 30741|3-((((-Oxoheptyl)amino)acetyl)amino)methyl-7-oxobicyclo(2.2.1)hept-2-yl-5-heptenoic acid|(Z)-7-[(1S,2R,3R,4R)-3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid|5-Heptenoic acid, 7-((1S,2R,3R,4R)-3-(((((1-oxoheptyl)amino)acetyl)amino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5Z)-|5-Heptenoic acid, 7-(3-(((((1-oxoheptyl)amino)acetyl)amino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha,2alpha(Z),3alpha,4alpha))-|(5Z)-7-[(1S,2R,3R,4R)-3-[(2-HEPTANAMIDOACETAMIDO)METHYL]-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]HEPT-5-ENOIC ACID|(Z)-7-[(1S,4R)-3alpha-[[[[(1-Oxoheptyl)amino]acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2alpha-yl]-5-heptenoic acid|[1S-(1beta,2alpha(5Z),3alpha,4beta)]-7-[3-[[[[(1-Oxoheptyl)amino]acetyl]amino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid|5-HEPTENOIC ACID, 7-(3-(((((1-OXOHEPTYL)AMINO)ACETYL)AMINO)METHYL)-7-OXABICYCLO(2.2.1)HEPT-2-YL)-, (1S-(1.ALPHA.,2.ALPHA.(Z),3.ALPHA.,4.ALPHA.))-
| Molecular Formula | C23H38N2O5 |
|---|---|
| Molecular Weight | 422.27808 g/mol |
| LogP | 3.184 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 422.27808 |
| Monoisotopic Mass | 422.27808 |
| Heavy Atoms | 30 |
| Complexity | 592.1425 |
Chemical Identifiers
| CAS Number | 93-33-4 |
|---|---|
| SMILES | CCCCCCC(=O)NCC(=O)NC[C@@H]1[C@H]2CC[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O2 |
Product Overview
SQ 30741 (CAS 93-33-4), with molecular formula C23H38N2O5 and molecular weight 422.27808 g/mol. IUPAC: (Z)-7-[(1S,2R,3R,4R)-3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid.