Peptidomimetic inhibitor 5
TL;DR: Peptidomimetic inhibitor 5 (CAS 180968-27-8) is a chemical compound with molecular formula C37H53N5O7 and molecular weight 679.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R)-4-[[(8S,11S)-8-butan-2-yl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino]-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
Also Known As: Peptidomimetic inhibitor 5, MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5, 1OH-2(Cbz-ValNH)3PhPr [13]paracyclophane deriv., (1'S,2'S,2''S,9S,11R)-11-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)paracyclophane, (2S)-N-[(1S,2R)-3-[[(3S,6S)-4,7-dioxo-6-sec-butyl-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-2-hydroxy-1-[(4-hydroxyphenyl)methyl]propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
| Molecular Formula | C37H53N5O7 |
|---|---|
| Molecular Weight | 679.39 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 679.3945 |
| Heavy Atoms | 49 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 180968-27-8 |
|---|---|
| SMILES | CCC(C)[C@H]1C(=O)NCCCOC2=CC=C(C[C@@H](C(=O)N1)NC[C@H]([C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O)C=C2 |
| InChIKey | WGWWDGLTNADWNS-KKZGTGSDSA-N |
Product Overview
Peptidomimetic inhibitor 5 (CAS 180968-27-8), with molecular formula C37H53N5O7 and molecular weight 679.39 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[[(8S,11S)-8-butan-2-yl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino]-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
Chemical Property Profile of Peptidomimetic inhibitor 5
Property Insights of Peptidomimetic inhibitor 5
The XLogP value of 4.2 indicates that Peptidomimetic inhibitor 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Peptidomimetic inhibitor 5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peptidomimetic inhibitor 5 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peptidomimetic inhibitor 5?
The CAS number of Peptidomimetic inhibitor 5 is 180968-27-8.
What is the molecular formula of Peptidomimetic inhibitor 5?
The molecular formula of Peptidomimetic inhibitor 5 is C37H53N5O7.
What is the molecular weight of Peptidomimetic inhibitor 5?
The molecular weight of Peptidomimetic inhibitor 5 is 679.39 g/mol.
Where can I buy Peptidomimetic inhibitor 5?
You can request a quote for Peptidomimetic inhibitor 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peptidomimetic inhibitor 5?
Yes, KEHONG BIO provides custom synthesis services for Peptidomimetic inhibitor 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.