Annetocin
TL;DR: Annetocin (CAS 154445-03-1) is a chemical compound with molecular formula C41H64N14O11S2 and molecular weight 992.43207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Annetocin, Cyclo(cys-phe-val-arg-asn-cys)-pro-thr-gly-NH2, (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide, Oxytocin, 2-L-phenylalanine-3-L-valine-4-L-arginine-8-L-threonine-, (2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-(3-(diaminomethylideneamino)propyl)-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((2R,3R)-1-((2-amino-2-oxoethyl)amino)-3-hydroxy-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C41H64N14O11S2 |
| Molecular Weight | 992.43207 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 471.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 992.43207 Da |
| Heavy Atoms | 68 |
| Complexity | 1850.0 |
| SMILES | C[C@H]([C@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCCN=C(N)N)C(C)C)CC3=CC=CC=C3)N)O |
| InChIKey | DTNQMGKQKUUXKP-PDZKQJQOSA-N |
Chemical Property Profile of Annetocin
Property Insights of Annetocin
The XLogP value of -4.5 indicates that Annetocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 471.0 Ų indicates high polarity, suggesting Annetocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Annetocin has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Annetocin?
The CAS number of Annetocin is 154445-03-1.
What is the molecular formula of Annetocin?
The molecular formula of Annetocin is C41H64N14O11S2.
What is the molecular weight of Annetocin?
The molecular weight of Annetocin is 992.43207 g/mol.
Where can I buy Annetocin?
You can request a quote for Annetocin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Annetocin?
Yes, CoreyChem provides custom synthesis services for Annetocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.