d(CH2)5Tyr(Et)Vavp
TL;DR: d(CH2)5Tyr(Et)Vavp (CAS 77453-01-1) is a chemical compound with molecular formula C53H77N13O11S2 and molecular weight 1135.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: d(CH2)5Tyr(Et)Vavp, d(CH2)5Tyr(Et)Vdavp, d(CH2)5(Tyr(Et)2)vavp, Skf 100398, Skf 101498
| Molecular Formula | C53H77N13O11S2 |
|---|---|
| Molecular Weight | 1135.53 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 434.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 1135.5306 |
| Heavy Atoms | 79 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 77453-01-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5 |
| InChIKey | SDFJYGJKEXYVCG-HQAJSCLBSA-N |
Product Overview
d(CH2)5Tyr(Et)Vavp (CAS 77453-01-1), with molecular formula C53H77N13O11S2 and molecular weight 1135.53 g/mol. IUPAC: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of d(CH2)5Tyr(Et)Vavp
Property Insights of d(CH2)5Tyr(Et)Vavp
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for d(CH2)5Tyr(Et)Vavp. The TPSA of 434.0 Ų indicates high polarity, suggesting d(CH2)5Tyr(Et)Vavp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, d(CH2)5Tyr(Et)Vavp has 11 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 d(CH2)5Tyr(Et)Vavp?
The CAS number of d(CH2)5Tyr(Et)Vavp is 77453-01-1.
What is the molecular formula of d(CH2)5Tyr(Et)Vavp?
The molecular formula of d(CH2)5Tyr(Et)Vavp is C53H77N13O11S2.
What is the molecular weight of d(CH2)5Tyr(Et)Vavp?
The molecular weight of d(CH2)5Tyr(Et)Vavp is 1135.53 g/mol.
Where can I buy d(CH2)5Tyr(Et)Vavp?
You can request a quote for d(CH2)5Tyr(Et)Vavp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for d(CH2)5Tyr(Et)Vavp?
Yes, KEHONG BIO provides custom synthesis services for d(CH2)5Tyr(Et)Vavp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.