Destruxin E1 5
16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
Also Known As: Destruxin E1 5|16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone|3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-6-(propan-2-yl)-3,5,6,8,9,12,13,19,20,21,22,22a-dodecahydro-4H-pyrido[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(16H)-tetrone
| Molecular Formula | C30H49N5O8 |
|---|---|
| Molecular Weight | 607.3581 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 607.3581 |
| Monoisotopic Mass | 607.3581 |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 79385-96-9 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C |
| InChIKey | ZYTHYMZQQBWDDS-UHFFFAOYSA-N |
Product Overview
Destruxin E1 5 (CAS 79385-96-9), with molecular formula C30H49N5O8 and molecular weight 607.3581 g/mol. IUPAC: 16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone.
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