26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide
TL;DR: 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide (CAS 562105-26-4) is a chemical compound with molecular formula C58H59ClN8O15 and molecular weight 1142.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,18R,19R,22S,25R,28R,40S)-36-(2-adamantylmethyl)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-N-methyl-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34,36,38,46-pentadecaene-40-carboxamide
Also Known As: 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide, Eremomycin aglycone hexapeptide, 26-methylamino carbonyl-, 29-(2-admantyl)methyl-, Vancomycin, 44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl)-.beta.-D-glucopyranosyl)-26-decarboxy-19-dechloro-49-de(4-methyl-2-(methylamino)-1-oxopentyl)-26-((methylamino)carbonyl)-29-(tricyclo(3.3.1.13,7)dec-2-ylmethyl)-
| Molecular Formula | C58H59ClN8O15 |
|---|---|
| Molecular Weight | 1142.38 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 384.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 1142.3788 |
| Heavy Atoms | 82 |
| Complexity | 2380.0 |
Chemical Identifiers
| CAS Number | 562105-26-4 |
|---|---|
| SMILES | CNC(=O)[C@@H]1C2=CC(=C(C(=C2C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N4)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C8=CC(=C(O7)C=C8)Cl)O)N)CC(=O)N)O)O)C(=O)N1)O)O)CC9C1CC2CC(C1)CC9C2)O |
| InChIKey | HQTCIKMYIHXVON-TUUDCCPRSA-N |
Product Overview
26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide (CAS 562105-26-4), with molecular formula C58H59ClN8O15 and molecular weight 1142.38 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-36-(2-adamantylmethyl)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-N-methyl-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34,36,38,46-pentadecaene-40-carboxamide.
Chemical Property Profile of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide
Property Insights of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide. The TPSA of 384.0 Ų indicates high polarity, suggesting 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide?
The CAS number of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide is 562105-26-4.
What is the molecular formula of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide?
The molecular formula of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide is C58H59ClN8O15.
What is the molecular weight of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide?
The molecular weight of 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide is 1142.38 g/mol.
Where can I buy 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide?
You can request a quote for 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide?
Yes, KEHONG BIO provides custom synthesis services for 26-Methylamino carbonyl-29-(2-admantyl)methyleremomycin aglycone hexapeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.