(2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid

Base Information

Chemical Name:(2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid
CAS No.:827034-92-4
Molecular Formula:C₃₅H₄₉NO₁₀
Molecular Weight:643.775
Hs Code.:
UNII:KG6QPD6JM9
ChEMBL ID:CHEMBL2312016
Mol file:827034-92-4.mol

Synonyms:NA808

Suppliers and Price of (2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Total 3 raw suppliers

Chemical Property of (2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid

Chemical Property:

XLogP3:5.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:25
Exact Mass:643.33564676
Heavy Atom Count:46
Complexity:1070

Purity/Quality:: ≥95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)OCC#CC)C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES:CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC#CC)C(=O)O)[C@@](CC(=O)O)(C(=O)O)O

Technology Process of (2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid

There total 52 articles about (2S)-2-[(E,1S)-1-[[(1S)-1-[(4-but-2-ynoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 744208-91-1
(S)-di-tert-butyl 2-((S,Z)-1-(((S)-3-(4-(but-2-yn-1-yloxy)phenyl)-1-(tert-butoxy)-1-oxopropan-2-yl)amino)-1,11-dioxooctadec-3-en-2-yl)-2-hydroxysuccinate

: 744208-75-1,827034-92-4
NA 808

Guidance literature:: With methoxybenzene; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1002/anie.201200520