L-Isoleucine, L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-
(2S,3S)-3-methyl-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
Also Known As: Pro-Phe-Pro-Gly-Pro-Ile|[DES-TYR1 ]-BETA-CASOMORPHIN|L-Isoleucine, L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-|B-CASOMORPHIN DES-TYR1-FRAGMENT BOVINE)|L-Prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-L-isoleucine|(2S,3S)-3-methyl-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
| Molecular Formula | C32H46N6O7 |
|---|---|
| Molecular Weight | 626.3428 g/mol |
| LogP | 0.1796 |
| Topological Polar Surface Area | 177.25 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 626.3428 |
| Monoisotopic Mass | 626.3428 |
| Heavy Atoms | 45 |
| Complexity | 1237.6244 |
Chemical Identifiers
| CAS Number | 77654-52-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4 |
Product Overview
L-Isoleucine, L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl- (CAS 77654-52-5), with molecular formula C32H46N6O7 and molecular weight 626.3428 g/mol. IUPAC: (2S,3S)-3-methyl-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid.