AcLeuAsnLeu(CHOHCH2)ProIleOMe
TL;DR: AcLeuAsnLeu(CHOHCH2)ProIleOMe (CAS 127231-51-0) is a chemical compound with molecular formula C31H56N6O8 and molecular weight 640.41595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
Also Known As: AcLeuAsnLeu(CHOHCH2)ProIleOMe, (N-(AcetylLeuAsn)-3-amino-2-hydroxy-5-methylhexyl)ProIsoleucine methyl ester, L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-5-methylhexyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-, N-Ac-L-Leu-L-Asn-[(2S,3S)-3-Amino*-2-hydroxy-5-methylhexyl]-L-Pro-L-Ile-OMe, 2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-1-hydroxy-4-methyl-pentyl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-pentanoic acid methyl ester
Technical Specifications
| Molecular Formula | C31H56N6O8 |
| Molecular Weight | 640.41595 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 640.41595 Da |
| Heavy Atoms | 45 |
| Complexity | 1020.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C)O |
| InChIKey | IEPNUSNRWKGSSK-FXCIBJTHSA-N |
Chemical Property Profile of AcLeuAsnLeu(CHOHCH2)ProIleOMe
Property Insights of AcLeuAsnLeu(CHOHCH2)ProIleOMe
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcLeuAsnLeu(CHOHCH2)ProIleOMe. The TPSA of 209.0 Ų indicates high polarity, suggesting AcLeuAsnLeu(CHOHCH2)ProIleOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcLeuAsnLeu(CHOHCH2)ProIleOMe has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AcLeuAsnLeu(CHOHCH2)ProIleOMe?
The CAS number of AcLeuAsnLeu(CHOHCH2)ProIleOMe is 127231-51-0.
What is the molecular formula of AcLeuAsnLeu(CHOHCH2)ProIleOMe?
The molecular formula of AcLeuAsnLeu(CHOHCH2)ProIleOMe is C31H56N6O8.
What is the molecular weight of AcLeuAsnLeu(CHOHCH2)ProIleOMe?
The molecular weight of AcLeuAsnLeu(CHOHCH2)ProIleOMe is 640.41595 g/mol.
Where can I buy AcLeuAsnLeu(CHOHCH2)ProIleOMe?
You can request a quote for AcLeuAsnLeu(CHOHCH2)ProIleOMe directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AcLeuAsnLeu(CHOHCH2)ProIleOMe?
Yes, CoreyChem provides custom synthesis services for AcLeuAsnLeu(CHOHCH2)ProIleOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.