Vespakinin-X
TL;DR: Vespakinin-X (CAS 72647-96-2) is a chemical compound with molecular formula C64H98N18O14 and molecular weight 1342.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
Also Known As: Vespakinin-X, Phyllokinin, N2-L-alanyl-11-L-valine-, Ala-arg-pro-pro-gly-phe-ser-pro-phe-arg-ile-val, (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-h, l-alanyl-n5-(diaminomethylidene)-l-ornithyl-l-prolyl-l-prolylglycyl-l-phenylalanyl-l-seryl-l-prolyl-l-phenylalanyl-n5-(diaminomethylidene)-l-ornithyl-l-isoleucyl-l-valine
| Molecular Formula | C64H98N18O14 |
|---|---|
| Molecular Weight | 1342.75 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 506.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 36 |
| Exact Mass | 1342.751 |
| Heavy Atoms | 96 |
| Complexity | 2730.0 |
Chemical Identifiers
| CAS Number | 72647-96-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)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)NC(=O)[C@H](C)N |
| InChIKey | JTBMXLQHBVQUQA-JBCSUPIXSA-N |
Product Overview
Vespakinin-X (CAS 72647-96-2), with molecular formula C64H98N18O14 and molecular weight 1342.75 g/mol. IUPAC: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of Vespakinin-X
Property Insights of Vespakinin-X
The XLogP value of -3.3 indicates that Vespakinin-X is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 506.0 Ų indicates high polarity, suggesting Vespakinin-X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vespakinin-X 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 Vespakinin-X?
The CAS number of Vespakinin-X is 72647-96-2.
What is the molecular formula of Vespakinin-X?
The molecular formula of Vespakinin-X is C64H98N18O14.
What is the molecular weight of Vespakinin-X?
The molecular weight of Vespakinin-X is 1342.75 g/mol.
Where can I buy Vespakinin-X?
You can request a quote for Vespakinin-X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vespakinin-X?
Yes, KEHONG BIO provides custom synthesis services for Vespakinin-X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.