TL;DR: GR 83895 (CAS 152323-73-4) is a chemical compound with molecular formula C29H39N9O8S and molecular weight 673.2642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
Also Known As: GR 83895, (3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid, (S)-3-(2-((S,Z)-2-((3R,6R,8aS)-6-amino-5-oxohexahydro-5H-thiazolo[3,2-a]pyridine-3-carboxamido)-5-guanidinopent-3-enamido)acetamido)-4-oxo-4-(((S)-1-oxo-3-phenylpropan-2-yl)amino)butanoic acid, L-Phenylalanine, N2-((6-aminohexahydro-5-oxo-5H-thiazolo(3,2-a)pyridin-3-yl)carbonyl)-L-arginylglycyl-L-alpha-aspartyl-, cyclic (4->1)-peptide, (3S-(3alpha,6beta,8aalpha))-, L-Phenylalanine, N2-((6-aminohexahydro-5-oxo-5H-thiazolo(3,2-a)pyridin-3-yl)carbonyl)-L-arginylglycyl-L-alpha-aspartyl-, cyclic (4-1)-peptide, (3S-(3alpha,6beta,8aalpha))-
| Molecular Formula | C29H39N9O8S |
| Molecular Weight | 673.2642 g/mol |
| XLogP | -4.8 |
| Topological Polar Surface Area (TPSA) | 307.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 673.2642 Da |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
| SMILES | C1C[C@H]2N([C@@H](CS2)C(=O)N[C@@H](/C=C\CN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C=O)C(=O)[C@@H]1N |
| InChIKey | XFZMXQGBKACNBS-NCCORKKUSA-N |
The XLogP value of -4.8 indicates that GR 83895 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting GR 83895 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GR 83895 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of GR 83895 is 152323-73-4.
The molecular formula of GR 83895 is C29H39N9O8S.
The molecular weight of GR 83895 is 673.2642 g/mol.
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