Cbz-Val-NHPhCH2-Statine deriv.
TL;DR: Cbz-Val-NHPhCH2-Statine deriv. (CAS 169305-69-5) is a chemical compound with molecular formula C42H57N9O8S and molecular weight 847.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide
Also Known As: Cbz-Val-NHPhCH2-Statine deriv., (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide, L-Lyxonamide, 2,4,5-trideoxy-4-((3,3-dimethyl-2-((((1-methyl-1H-tetrazol-5-yl)thio)acetyl)amino)-1-oxobutyl)amino)-N-(1-((((2-hydroxy-4-methoxyphenyl)methyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-, (1(S),4(S))-, (2R,3S,4S)-N-(4-(3-hydroxy-2-(4-methoxybenzylamino)((N-((1-methyl-1,3,4,5-tetrazol-2-thiaocetyl)tert.leucinyl)amino)-5-phenylpentanoyl)valine 2-hydroxy-4-methoxy-benzylamide, (2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}butanamido]-3-hydroxy-N-[(1S)-1-{[(2-hydroxy-4-methoxyphenyl)methyl]carbamoyl}-2-methylpropyl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide
| Molecular Formula | C42H57N9O8S |
|---|---|
| Molecular Weight | 847.41 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 847.4051 |
| Heavy Atoms | 60 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 169305-69-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCC1=C(C=C(C=C1)OC)O)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)CSC3=NN=NN3C)O)NCC4=CC=C(C=C4)OC |
| InChIKey | FXCOLMDDHSTZIY-RCNBIBPKSA-N |
Product Overview
Cbz-Val-NHPhCH2-Statine deriv. (CAS 169305-69-5), with molecular formula C42H57N9O8S and molecular weight 847.41 g/mol. IUPAC: (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide.
Chemical Property Profile of Cbz-Val-NHPhCH2-Statine deriv.
Property Insights of Cbz-Val-NHPhCH2-Statine deriv.
The XLogP value of 5.1 indicates that Cbz-Val-NHPhCH2-Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Cbz-Val-NHPhCH2-Statine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Val-NHPhCH2-Statine deriv. has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cbz-Val-NHPhCH2-Statine deriv.?
The CAS number of Cbz-Val-NHPhCH2-Statine deriv. is 169305-69-5.
What is the molecular formula of Cbz-Val-NHPhCH2-Statine deriv.?
The molecular formula of Cbz-Val-NHPhCH2-Statine deriv. is C42H57N9O8S.
What is the molecular weight of Cbz-Val-NHPhCH2-Statine deriv.?
The molecular weight of Cbz-Val-NHPhCH2-Statine deriv. is 847.41 g/mol.
Where can I buy Cbz-Val-NHPhCH2-Statine deriv.?
You can request a quote for Cbz-Val-NHPhCH2-Statine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cbz-Val-NHPhCH2-Statine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Cbz-Val-NHPhCH2-Statine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.