L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-
TL;DR: L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- (CAS 145594-21-4) is a chemical compound with molecular formula C43H59ClN6O10 and molecular weight 854.39813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]amino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide;hydrochloride
Also Known As: L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-, N-(Tyrosyl-D-alanylglycylphenylalanylleucyl)benzoaza-15-crown-5 hydrochloride, (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]amino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide hydrochloride, L-Tyrosyl-D-alanyl-N-[(2S)-2-{[(2S)-4-methyl-1-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxazacyclopentadecin-7-yl)-1-oxopentan-2-yl]amino}-3-phenylpropanoyl]glycinamide--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C43H59ClN6O10 |
| Molecular Weight | 854.39813 g/mol |
| XLogP | 1.8963 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 854.39813 Da |
| Heavy Atoms | 60 |
| Complexity | 1270.0 |
| SMILES | C[C@H](C(=O)NCC(=O)NC(=O)[C@H](CC1=CC=CC=C1)N[C@@H](CC(C)C)C(=O)N2CCOCCOC3=CC=CC=C3OCCOCC2)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.Cl |
| InChIKey | HYZGEOLQTIALCV-LVBQHZOISA-N |
Chemical Property Profile of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-
Property Insights of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-
The XLogP value of 1.8963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-. The TPSA of 220.0 Ų indicates high polarity, suggesting L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-?
The CAS number of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- is 145594-21-4.
What is the molecular formula of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-?
The molecular formula of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- is C43H59ClN6O10.
What is the molecular weight of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-?
The molecular weight of L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- is 854.39813 g/mol.
Where can I buy L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-?
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Does CoreyChem offer custom synthesis for L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-?
Yes, CoreyChem provides custom synthesis services for L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.