Benzylpenicilloyl-heptapeptide
TL;DR: Benzylpenicilloyl-heptapeptide (CAS 80976-69-8) is a chemical compound with molecular formula C43H66N10O12S and molecular weight 946.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2R,4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carbonyl]oxypropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoic acid
Also Known As: Benzylpenicilloyl-heptapeptide, BPHP, Benzylpenicilloyl-leu-pro-ala-ser-asn-gly-val, L-Valine, N-(N-(N2-(O-((5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-4-thiazolidinyl)carbonyl)-N-(N-(1-L-leucyl-L-prolyl)-L-alanyl)-L-seryl)-L-asparaginyl)glycyl)-, (2R-trans)-, L-Leucyl-L-prolyl-L-alanyl-O-{(2R,4S)-5,5-dimethyl-2-[(2-phenylacetamido)methyl]-1,3-thiazolidine-4-carbonyl}-L-seryl-L-asparaginylglycyl-D-valine
| Molecular Formula | C43H66N10O12S |
|---|---|
| Molecular Weight | 946.46 g/mol |
| LogP | -2.2461 |
| Topological Polar Surface Area | 339.65 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 946.45825 |
| Heavy Atoms | 66 |
| Complexity | 1936.2722 |
Chemical Identifiers
| CAS Number | 80976-69-8 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](COC(=O)[C@H]1C(S[C@@H](N1)CNC(=O)CC2=CC=CC=C2)(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N |
Product Overview
Benzylpenicilloyl-heptapeptide (CAS 80976-69-8), with molecular formula C43H66N10O12S and molecular weight 946.46 g/mol. IUPAC: (2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2R,4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carbonyl]oxypropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of Benzylpenicilloyl-heptapeptide
Property Insights of Benzylpenicilloyl-heptapeptide
The XLogP value of -2.2461 indicates that Benzylpenicilloyl-heptapeptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.65 Ų indicates high polarity, suggesting Benzylpenicilloyl-heptapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzylpenicilloyl-heptapeptide has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylpenicilloyl-heptapeptide?
The CAS number of Benzylpenicilloyl-heptapeptide is 80976-69-8.
What is the molecular formula of Benzylpenicilloyl-heptapeptide?
The molecular formula of Benzylpenicilloyl-heptapeptide is C43H66N10O12S.
What is the molecular weight of Benzylpenicilloyl-heptapeptide?
The molecular weight of Benzylpenicilloyl-heptapeptide is 946.46 g/mol.
Where can I buy Benzylpenicilloyl-heptapeptide?
You can request a quote for Benzylpenicilloyl-heptapeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylpenicilloyl-heptapeptide?
Yes, KEHONG BIO provides custom synthesis services for Benzylpenicilloyl-heptapeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.