TL;DR: L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- (CAS 121849-97-6) is a chemical compound with molecular formula C38H60N10O11 and molecular weight 832.4443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
Also Known As: L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)-, (2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-N-[(1S)-3-amino-1-[[(1S)-1-[[(2S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]methyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-3-oxo-propyl]pentanediamide, (2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide, L-Valinamide, 1-[2-[[N2-[N2-(N-acetyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]-3-(4-hydroxyphenyl)propyl]-L-prolyl-L-valyl-, (S)-, L-Valinamide,1-[2-[[N2-[N2-(N-acetyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]-3-(4-hydroxyphenyl)propyl]-L-prolyl-L-valyl-,(S)- (9CI)
| Molecular Formula | C38H60N10O11 |
| Molecular Weight | 832.4443 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 348.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 832.4443 Da |
| Heavy Atoms | 59 |
| Complexity | 1500.0 |
| SMILES | CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)C |
| InChIKey | DKYBGUDQZZDLSE-DUHCJERPSA-N |
The XLogP value of -2.4 indicates that L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- has 11 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- is 121849-97-6.
The molecular formula of L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- is C38H60N10O11.
The molecular weight of L-Valinamide, 1-(2-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-3-(4-hydroxyphenyl)propyl)-L-prolyl-L-valyl-, (S)- is 832.4443 g/mol.
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