Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-
TL;DR: Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- (CAS 32644-30-7) is a chemical compound with molecular formula C60H92N18O13 and molecular weight 1272.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoic acid
Also Known As: Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-, n5-(diaminomethylidene)-l-ornithyl-l-prolyl-l-prolylglycyl-l-phenylalanyl-l-threonyl-l-prolyl-l-phenylalanyl-n5-(diaminomethylidene)-l-ornithyl-l-lysylalanine, 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoic acid
| Molecular Formula | C60H92N18O13 |
|---|---|
| Molecular Weight | 1272.71 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 503.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 35 |
| Exact Mass | 1272.7091 |
| Heavy Atoms | 91 |
| Complexity | 2540.0 |
Chemical Identifiers
| CAS Number | 32644-30-7 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O |
| InChIKey | NBJDVMGGVNAGFE-LCYUMNCKSA-N |
Product Overview
Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- (CAS 32644-30-7), with molecular formula C60H92N18O13 and molecular weight 1272.71 g/mol. IUPAC: 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoic acid.
Chemical Property Profile of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-
Property Insights of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-
The XLogP value of -5.1 indicates that Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 503.0 Ų indicates high polarity, suggesting Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-?
The CAS number of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- is 32644-30-7.
What is the molecular formula of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-?
The molecular formula of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- is C60H92N18O13.
What is the molecular weight of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-?
The molecular weight of Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- is 1272.71 g/mol.
Where can I buy Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-?
You can request a quote for Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-?
Yes, KEHONG BIO provides custom synthesis services for Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.