Dihydrotentoxin
(2S)-4-methyl-N-[(2R)-2-(methylamino)-3-phenylpropanoyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-(2-oxoethyl)pent-4-enamide
Also Known As: Dihydrotentoxin|Cyclo(N-methyl-ala-leu-N-methyl-phe-gly)|(2S)-4-methyl-N-[(2R)-2-(methylamino)-3-phenylpropanoyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-(2-oxoethyl)pent-4-enamide|Cyclo(N-methyl-alanyl-leucyl-N-methyl-phenylalanyl-glycyl)|(2S)-4-methyl-N-((2R)-2-(methylamino)-3-phenylpropanoyl)-2-(((2S)-2-(methylamino)propanoyl)amino)-N-(2-oxoethyl)pent-4-enamide|1,4,7,10-Tetraazacyclododecane-2,5,8,11-tetrone, 3-butyl-1,6,7-trimethyl-12-(phenylmethylene)-, (3S-(3R*,6R*,12E))-|N-Methyl-L-alanyl-N-[(2R)-2-(methylamino)-3-phenylpropanoyl]-4-methylidene-N-(2-oxoethyl)-L-norvalinamide
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.24237 g/mol |
| LogP | 0.4301 |
| Topological Polar Surface Area | 107.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 416.24237 |
| Monoisotopic Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 750.7642 |
Chemical Identifiers
| CAS Number | 54987-63-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(=C)C)C(=O)N(CC=O)C(=O)[C@@H](CC1=CC=CC=C1)NC)NC |
Product Overview
Dihydrotentoxin (CAS 54987-63-2), with molecular formula C22H32N4O4 and molecular weight 416.24237 g/mol. IUPAC: (2S)-4-methyl-N-[(2R)-2-(methylamino)-3-phenylpropanoyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-(2-oxoethyl)pent-4-enamide.