![6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid structure](/static/products/7572/757246-85-8.webp)
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
TL;DR: 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid (CAS 757246-85-8) is a chemical compound with molecular formula C36H48N4O9 and molecular weight 680.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
Also Known As: 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid, L-prolinamide, N-(5-carboxy-1-oxopentyl)-L-valyl-L-valyl-N-(1-formylpropyl)-4-[(2-naphthalenylcarbonyl)oxy]-, (4R)-, L-Prolinamide, N-(5-carboxy-1-oxopentyl)-L-valyl-L-valyl-N-(1-formylpropyl)-4-[(2-naphthalenylcarbonyl)oxy]-, (4R)- (9CI), N-(5-Carboxypentanoyl)-L-valyl-L-valyl-(4R)-4-[(naphthalene-2-carbonyl)oxy]-N-(1-oxobutan-2-yl)-L-prolinamide
| Molecular Formula | C36H48N4O9 |
|---|---|
| Molecular Weight | 680.34 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 680.3421 |
| Heavy Atoms | 49 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 757246-85-8 |
|---|---|
| SMILES | CCC(C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)O)OC(=O)C2=CC3=CC=CC=C3C=C2 |
| InChIKey | URHRYXMPBLWUFT-HPQDULLZSA-N |
Product Overview
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid (CAS 757246-85-8), with molecular formula C36H48N4O9 and molecular weight 680.34 g/mol. IUPAC: 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid.
Chemical Property Profile of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
Property Insights of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
The XLogP value of 4.1 indicates that 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The CAS number of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is 757246-85-8.
What is the molecular formula of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The molecular formula of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is C36H48N4O9.
What is the molecular weight of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The molecular weight of 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is 680.34 g/mol.
Where can I buy 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
You can request a quote for 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.