Cyclo(valyl-prolylglycyl)4
(2S)-N-[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-iminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Also Known As: Cyclo(val-pro-gly)4|Cyclo(valyl-prolylglycyl)4|Cyclic(glycyl-L-valyl-L-prolylglycyl-L-valyl-L-prolylglycyl-L-valyl-L-prolylglycyl-L-valyl-L-prolyl)|(2S)-N-[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-iminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
| Molecular Formula | C48H76N12O12 |
|---|---|
| Molecular Weight | 1012.57056 g/mol |
| LogP | -2.28933 |
| Topological Polar Surface Area | 325.86 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Exact Mass | 1012.57056 |
| Monoisotopic Mass | 1012.57056 |
| Heavy Atoms | 72 |
| Complexity | 2064.6455 |
Chemical Identifiers
| CAS Number | 97458-79-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCC[C@H]1C=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)C=N |
Product Overview
Cyclo(valyl-prolylglycyl)4 (CAS 97458-79-2), with molecular formula C48H76N12O12 and molecular weight 1012.57056 g/mol. IUPAC: (2S)-N-[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-iminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide.