AC1MHPX2
N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-[(2-pyridin-3-ylacetyl)amino]pentyl]-1,3-diazepan-1-yl]pentyl]-2-pyridin-3-ylacetamide
Also Known As: N-(5-((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-3-(5-(2-pyridin-3-yl-ethanoylamino)-pentyl)-perhydro-1,3-diazepin-1-yl)-pentyl)-2-pyridin-3-yl-acetamide|N-(5-{(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(2-pyridin-3-yl-ethanoylamino)-pentyl]-perhydro-1,3-diazepin-1-yl}-pentyl)-2-pyridin-3-yl-acetamide|N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di(pentane-5,1-diyl)}bis[2-(pyridin-3-yl)acetamide]|N-(5-{(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(2-pyridin-3-yl-acetylamino)-pentyl]-[1,3]diazepan-1-yl}-pentyl)-2-pyridin-3-yl-acetamide|N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-[(2-pyridin-3-ylacetyl)amino]pentyl]-1,3-diazepan-1-yl]pentyl]-2-pyridin-3-ylacetamide|N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-[[2-(3-pyridyl)acetyl]amino]pentyl]-1,3-diazepan-1-yl]pentyl]-2-(3-pyridyl)acetamide
| Molecular Formula | C43H54N6O5 |
|---|---|
| Molecular Weight | 734.4156 g/mol |
| LogP | 4.5168 |
| Topological Polar Surface Area | 147.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 734.4156 |
| Monoisotopic Mass | 734.4156 |
| Heavy Atoms | 54 |
| Complexity | 1573.9808 |
Chemical Identifiers
| CAS Number | 192575-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCCNC(=O)CC3=CN=CC=C3)CCCCCNC(=O)CC4=CN=CC=C4)CC5=CC=CC=C5)O)O |
Product Overview
AC1MHPX2 (CAS 192575-93-2), with molecular formula C43H54N6O5 and molecular weight 734.4156 g/mol. IUPAC: N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-[(2-pyridin-3-ylacetyl)amino]pentyl]-1,3-diazepan-1-yl]pentyl]-2-pyridin-3-ylacetamide.