Destruxin C2
3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: Destruxin C2|Destruxin C, 2-L-valine-|beta-Alanine, 2,5-dihydroxy-4-methylpentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5|3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone|1,10-Dihydroxy-16-(3-hydroxy-2-methylpropyl)-5,8,9-trimethyl-3,6-di(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone|3- -10,11,14-trimethyl-13,16-dipropan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone|3-(3-HYDROXY-2-METHYL-PROPYL)-10,11,14-TRIMETHYL-13,16-DIPROPAN-2-YL-4 -OXA-1,8,11,14,17-PENTAZABICYCLO[17.3.0]DOCOSANE-2,5,9,12,15,18-HEXONE|b-Alanine,2,5-dihydroxy-4-methylpentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-,(6®1)-lactone (9CI)
| Molecular Formula | C29H49N5O8 |
|---|---|
| Molecular Weight | 595.3581 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 595.3581 |
| Monoisotopic Mass | 595.3581 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 79385-99-2 |
|---|---|
| SMILES | CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)C(C)C)CC(C)CO |
| InChIKey | BMFFTIQOTAYCMR-UHFFFAOYSA-N |
Product Overview
Destruxin C2 (CAS 79385-99-2), with molecular formula C29H49N5O8 and molecular weight 595.3581 g/mol. IUPAC: 3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone.