Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)
TL;DR: Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) (CAS 126333-32-2) is a chemical compound with molecular formula C35H56N8O8 and molecular weight 716.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropyl]-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2), L-Valinamide, 1-(2-((N-(N-(N-acetyl-L-seryl)-L-alanyl)-L-alanyl)amino)-3-phenylpropyl)-L-prolyl-L-valyl-, (S)-, (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propyl]-N-[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrrolidine-2-carboxamide, (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropyl]-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide, (2S)-1-[(2S,5S,8S,11S)-2-Benzyl-4,7,10,13-tetrahydroxy-11-(hydroxymethyl)-5,8-dimethyl-3,6,9,12-tetraazatetradeca-3,6,9,12-tetraen-1-yl]-N-[(2S)-1-hydroxy-1-{[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino}-3-methylbutan-2-yl]pyrrolidine-2-carboximidic acid
| Molecular Formula | C35H56N8O8 |
|---|---|
| Molecular Weight | 716.42 g/mol |
| LogP | -1.5484 |
| Topological Polar Surface Area | 241.16 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 716.4221 |
| Heavy Atoms | 51 |
| Complexity | 1374.5092 |
Chemical Identifiers
| CAS Number | 126333-32-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CN2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)C |
Product Overview
Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) (CAS 126333-32-2), with molecular formula C35H56N8O8 and molecular weight 716.42 g/mol. IUPAC: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropyl]-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)
Property Insights of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)
The XLogP value of -1.5484 indicates that Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.16 Ų indicates high polarity, suggesting Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) has 8 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 Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)?
The CAS number of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) is 126333-32-2.
What is the molecular formula of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)?
The molecular formula of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) is C35H56N8O8.
What is the molecular weight of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)?
The molecular weight of Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) is 716.42 g/mol.
Where can I buy Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)?
You can request a quote for Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2)?
Yes, KEHONG BIO provides custom synthesis services for Reduced amidine isostere analog(Ac-SAA-IX-VV-NH2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.