TL;DR: Bradykinin, arg-hyp(3)-phe(7)-leu(8)- (CAS 135701-67-6) is a chemical compound with molecular formula C57H89N19O13 and molecular weight 1247.6887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl] (2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylate
Also Known As: Aaphgpspla, BK-Ahpl, Arg-3-hyp-7-phe-8-leu-bradykinin, Arg-arg-pro-hyp-gly-phe-ser-phe-leu-arg, Bradykinin, arg-hyp(3)-phe(7)-leu(8)-
| Molecular Formula | C57H89N19O13 |
| Molecular Weight | 1247.6887 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 539.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 38 |
| Exact Mass | 1247.6887 Da |
| Heavy Atoms | 89 |
| Complexity | 2440.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4)O |
| InChIKey | IBUPLVFJDPVVRN-AFIJWGRYSA-N |
The XLogP value of -3.7 indicates that Bradykinin, arg-hyp(3)-phe(7)-leu(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 539.0 Ų indicates high polarity, suggesting Bradykinin, arg-hyp(3)-phe(7)-leu(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bradykinin, arg-hyp(3)-phe(7)-leu(8)- has 17 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bradykinin, arg-hyp(3)-phe(7)-leu(8)- is 135701-67-6.
The molecular formula of Bradykinin, arg-hyp(3)-phe(7)-leu(8)- is C57H89N19O13.
The molecular weight of Bradykinin, arg-hyp(3)-phe(7)-leu(8)- is 1247.6887 g/mol.
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