N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide
TL;DR: N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide (CAS 120728-89-4) is a chemical compound with molecular formula C47H75N15O14 and molecular weight 1073.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
Also Known As: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-N-[(1S)-3-amino-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]pentanediamide, N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide
| Molecular Formula | C47H75N15O14 |
|---|---|
| Molecular Weight | 1073.56 g/mol |
| LogP | -6.172 |
| Topological Polar Surface Area | 487.24 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 31 |
| Exact Mass | 1073.5618 |
| Heavy Atoms | 76 |
| Complexity | 2292.6433 |
Chemical Identifiers
| CAS Number | 120728-89-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[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](CCCN=C(N)N)NC(=O)C |
Product Overview
N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide (CAS 120728-89-4), with molecular formula C47H75N15O14 and molecular weight 1073.56 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide.
Chemical Property Profile of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide
Property Insights of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide
The XLogP value of -6.172 indicates that N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 487.24 Ų indicates high polarity, suggesting N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide has 15 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide?
The CAS number of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide is 120728-89-4.
What is the molecular formula of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide?
The molecular formula of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide is C47H75N15O14.
What is the molecular weight of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide?
The molecular weight of N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide is 1073.56 g/mol.
Where can I buy N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide?
You can request a quote for N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide?
Yes, KEHONG BIO provides custom synthesis services for N~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-seryl-L-glutaminyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-valyl-L-valinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.