Deaminotocinoic acid, ser(4)-
TL;DR: Deaminotocinoic acid, ser(4)- (CAS 57169-33-2) is a chemical compound with molecular formula C28H40N6O10S2 and molecular weight 684.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxopropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
Also Known As: Deaminotocinoic acid, ser(4)-, 4-Ser-deaminotocinoic acid, Deaminotocinoic acid, serine(4)-, n-(3-sulfanylpropanoyl)-l-tyrosyl-l-isoleucyl-3-oxo-l-alanyl-l-asparaginyl-l-cysteine, (2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxopropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
| Molecular Formula | C28H40N6O10S2 |
|---|---|
| Molecular Weight | 684.22 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Exact Mass | 684.22473 |
| Heavy Atoms | 46 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 57169-33-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCS |
| InChIKey | AFVNLVYSBOBMQP-BVRLQDJESA-N |
Product Overview
Deaminotocinoic acid, ser(4)- (CAS 57169-33-2), with molecular formula C28H40N6O10S2 and molecular weight 684.22 g/mol. IUPAC: (2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxopropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid.
Chemical Property Profile of Deaminotocinoic acid, ser(4)-
Property Insights of Deaminotocinoic acid, ser(4)-
The XLogP value of -1.0 indicates that Deaminotocinoic acid, ser(4)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.0 Ų indicates high polarity, suggesting Deaminotocinoic acid, ser(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deaminotocinoic acid, ser(4)- has 10 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 Deaminotocinoic acid, ser(4)-?
The CAS number of Deaminotocinoic acid, ser(4)- is 57169-33-2.
What is the molecular formula of Deaminotocinoic acid, ser(4)-?
The molecular formula of Deaminotocinoic acid, ser(4)- is C28H40N6O10S2.
What is the molecular weight of Deaminotocinoic acid, ser(4)-?
The molecular weight of Deaminotocinoic acid, ser(4)- is 684.22 g/mol.
Where can I buy Deaminotocinoic acid, ser(4)-?
You can request a quote for Deaminotocinoic acid, ser(4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deaminotocinoic acid, ser(4)-?
Yes, KEHONG BIO provides custom synthesis services for Deaminotocinoic acid, ser(4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.