TL;DR: Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide (CAS 127627-13-8) is a chemical compound with molecular formula C31H42N10O8 and molecular weight 682.3187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[2-[[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
Also Known As: Tyr-arg-gly-(4-nitrophenyl-phe)-pronh2, Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide, 443C81, L-Prolinamide, D-tyrosyl-L-arginylglycyl-4-nitro-L-phenylalanyl-, (2S)-N-[2-[[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
| Molecular Formula | C31H42N10O8 |
| Molecular Weight | 682.3187 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 307.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 682.3187 Da |
| Heavy Atoms | 49 |
| Complexity | 1190.0 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N)C(=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC3=CC=C(C=C3)O)N |
| InChIKey | DRFGXMBMIMENQU-ROHNOIKCSA-N |
The XLogP value of -1.4 indicates that Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide is 127627-13-8.
The molecular formula of Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide is C31H42N10O8.
The molecular weight of Tyrosyl-arginyl-glycyl-4-nitrophenylalanyl-prolinamide is 682.3187 g/mol.
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