N-Acetylsplenopeptin
TL;DR: N-Acetylsplenopeptin (CAS 120834-20-0) is a chemical compound with molecular formula C33H53N9O10 and molecular weight 735.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: N-Acetylsplenopeptin, (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid, (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid, N-[(6S,9S,12S,15S)-1-Amino-9-(4-aminobutyl)-12-(2-carboxyethyl)-7,10,13,16-tetrahydroxy-6-[(1-hydroxyethylidene)amino]-1-imino-15-(propan-2-yl)-2,8,11,14-tetraazahexadeca-7,10,13-trien-16-ylidene]-L-tyrosine, N-[16-Amino-8-(4-aminobutyl)-5-(2-carboxyethyl)-1,4,7,10-tetrahydroxy-11-[(1-hydroxyethylidene)amino]-16-imino-2-(propan-2-yl)-3,6,9,15-tetraazahexadeca-3,6,9-trien-1-ylidene]tyrosine
| Molecular Formula | C33H53N9O10 |
|---|---|
| Molecular Weight | 735.39 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 735.39154 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 120834-20-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C |
| InChIKey | YNSIBIFVJKPWMX-CPHHOOCTSA-N |
Product Overview
N-Acetylsplenopeptin (CAS 120834-20-0), with molecular formula C33H53N9O10 and molecular weight 735.39 g/mol. IUPAC: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of N-Acetylsplenopeptin
Property Insights of N-Acetylsplenopeptin
The XLogP value of -3.5 indicates that N-Acetylsplenopeptin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.0 Ų indicates high polarity, suggesting N-Acetylsplenopeptin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylsplenopeptin has 11 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetylsplenopeptin?
The CAS number of N-Acetylsplenopeptin is 120834-20-0.
What is the molecular formula of N-Acetylsplenopeptin?
The molecular formula of N-Acetylsplenopeptin is C33H53N9O10.
What is the molecular weight of N-Acetylsplenopeptin?
The molecular weight of N-Acetylsplenopeptin is 735.39 g/mol.
Where can I buy N-Acetylsplenopeptin?
You can request a quote for N-Acetylsplenopeptin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylsplenopeptin?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylsplenopeptin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.