TL;DR: Boc-GKR-AMC (CAS 109358-48-7) is a chemical compound with molecular formula C29H44N8O7 and molecular weight 616.3333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[2-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamate
Also Known As: Boc-GKR-AMC, Boc-Gly-Lys-Arg-Mca, Boc-Gly-Lys-Arg-AMC, t-Butyloxycarbonyl-Glycyl-L-Lysyl-L-Arginine 4-Methyl-Coumaryl-7-Amide, tert-butyl N-[2-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamate
| Molecular Formula | C29H44N8O7 |
| Molecular Weight | 616.3333 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 616.3333 Da |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)CNC(=O)OC(C)(C)C |
| InChIKey | GCCXTNKNTDPTJQ-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Boc-GKR-AMC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Boc-GKR-AMC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-GKR-AMC has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Boc-GKR-AMC is 109358-48-7.
The molecular formula of Boc-GKR-AMC is C29H44N8O7.
The molecular weight of Boc-GKR-AMC is 616.3333 g/mol.
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