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MK-677
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$98.99$99.99
- Concentration
- 25 mg per mL
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| Molecular Formula | C28H40N4O8S2 |
| Molecular Weight | 624.8 |
| Monoisotopic Mass | 624.22875659 |
| Polar Area | 193 |
| Complexity | 1010 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
| PubChem LCSS | MK-677 Laboratory Chemical Safety Summary |
| Property | Property Value |
|---|---|
| CID | 6450830 |
| CAS | 159752-10-0 |
| InChI | InChI=1S/C27H36N4O5S.CH4O3S/c1-26(2, 28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3, 34)35)23-12-8-7-11-21(23)27;1-5(2, 3)4/h4-12, 22H, 13-19, 28H2, 1-3H3, (H, 29, 33);1H3, (H, 2, 3, 4)/t22-;/m1./s1 |
| InChIKey | DUGMCDWNXXFHDE-VZYDHVRKSA-N |
| Isomeric SMILES | CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O |
| Canonical SMILES | CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O |
| IUPAC Name | 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3, 4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methanesulfonic acid |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed June 28, 2022)
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