2-Aminobenzylstatine Valyl Cbz deriv.
TL;DR: 2-Aminobenzylstatine Valyl Cbz deriv. (CAS 161277-32-3) is a chemical compound with molecular formula C44H52BrN7O6 and molecular weight 853.3162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-bromophenyl)methylamino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 2-Aminobenzylstatine Valyl Cbz deriv., (1(S),4(S))-2,4,5-Trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-((2-methyl-1-((2-benzimidazolyl)lmethyl)amino)carbonyl)propyl)-5-phenyl-2-((4-bromophenyl )methylamino)-L-lyxonamide, (1(S),4(S))-2,4,5-Trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-((2-methyl-1-((2-benzimidazolyl)lmethyl)amino)carbonyl)propyl)-5-phenyl-2-((4-bromophenyl)methylamino)-L-lyxonamide, [1(S),4(S)]-2,4,5-Trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-N-[[2-methyl-1-[(2-benzimidazolyl)lmethyl]amino]carbonyl]propyl]-5-phenyl-2-[(4-bromophenyl )methylamino]-L- lyxonamide, Benzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-{[(1H-1,3-benzimidazol-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-4-{[(4-bromophenyl)methyl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
Technical Specifications
| Molecular Formula | C44H52BrN7O6 |
| Molecular Weight | 853.3162 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 853.3162 Da |
| Heavy Atoms | 58 |
| Complexity | 1290.0 |
| SMILES | CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@@H]([C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O)NCC5=CC=C(C=C5)Br |
| InChIKey | ZPLNKSVNSSPDBX-BMYMHALSSA-N |
Chemical Property Profile of 2-Aminobenzylstatine Valyl Cbz deriv.
Property Insights of 2-Aminobenzylstatine Valyl Cbz deriv.
The XLogP value of 6.5 indicates that 2-Aminobenzylstatine Valyl Cbz deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting 2-Aminobenzylstatine Valyl Cbz deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Aminobenzylstatine Valyl Cbz deriv. has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Aminobenzylstatine Valyl Cbz deriv.?
The CAS number of 2-Aminobenzylstatine Valyl Cbz deriv. is 161277-32-3.
What is the molecular formula of 2-Aminobenzylstatine Valyl Cbz deriv.?
The molecular formula of 2-Aminobenzylstatine Valyl Cbz deriv. is C44H52BrN7O6.
What is the molecular weight of 2-Aminobenzylstatine Valyl Cbz deriv.?
The molecular weight of 2-Aminobenzylstatine Valyl Cbz deriv. is 853.3162 g/mol.
Where can I buy 2-Aminobenzylstatine Valyl Cbz deriv.?
You can request a quote for 2-Aminobenzylstatine Valyl Cbz deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Aminobenzylstatine Valyl Cbz deriv.?
Yes, CoreyChem provides custom synthesis services for 2-Aminobenzylstatine Valyl Cbz deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.