(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid

Base Information

Chemical Name:(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
CAS No.:147334-89-2
Molecular Formula:C₃₄H₆₁N₃O₉
Molecular Weight:655.873
Hs Code.:
DSSTox Substance ID:DTXSID40163683
Wikidata:Q83032668
Mol file:147334-89-2.mol

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid

Synonyms:stevastelin B

Suppliers and Price of (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid

Supply Marketing:

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

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Chemical Property of (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:895.4°Cat760mmHg
PKA:12.15±0.70(Predicted)
Flash Point:495.3°C
PSA：212.83000
Density:1.111g/cm³
LogP:5.53330
XLogP3:6.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:26
Exact Mass:655.44078053
Heavy Atom Count:46
Complexity:958

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCC(C(C)C(C(C)C(=O)NC(C(=O)NC(C(C)O)C(=O)NC(C=O)C(=O)O)C(C)(C)C=C)O)O
Isomeric SMILES:CCCCCCCCCCCCC[C@H]([C@@H](C)[C@H]([C@@H](C)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C=O)C(=O)O)C(C)(C)C=C)O)O

Technology Process of (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid

There total 31 articles about (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic 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: 81.0%

: 108-24-7
acetic anhydride

: 350817-37-7
(3S,6S,9S,12R,13R,14R,15R)-13-Hydroxy-6-((R)-1-hydroxy-ethyl)-3-hydroxymethyl-9-isopropyl-12,14-dimethyl-15-tridecyl-1-oxa-4,7,10-triaza-cyclopentadecane-2,5,8,11-tetraone

: 147334-89-2
Stevastelin B

Guidance literature:: With pyridine;
DOI:10.1055/s-2001-13382

Reference yield:

: 350817-30-0
(3S,6S,9S,12R,13R,14R,15R)-3-Benzyloxymethyl-13-hydroxy-6-((R)-1-hydroxy-ethyl)-9-isopropyl-12,14-dimethyl-15-tridecyl-1-oxa-4,7,10-triaza-cyclopentadecane-2,5,8,11-tetraone

: 147334-89-2
Stevastelin B

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / methanol / 2 h / 25 °C

2: 8 mg / pyridine / 2 h / 0 °C

With pyridine; hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1021/jo050625l

Reference yield:

: 350817-36-6
(S)-3-Benzyloxy-2-[(2S,3R)-2-((S)-2-tert-butoxycarbonylamino-3-methyl-butyrylamino)-3-hydroxy-butyrylamino]-propionic acid (R)-1-((1R,2R,3R)-2-hydroxy-1,3-dimethyl-4-oxo-butyl)-tetradecyl ester

: 147334-89-2
Stevastelin B

Guidance literature:: Multi-step reaction with 5 steps

1: 2-methyl-2-butene; NaClO₂; NaH₂PO₄ / 2-methyl-propan-2-ol; tetrahydrofuran; H₂O / 0.17 h / 25 °C

2: 100 percent / CH₂Cl₂ / 1 h / 0 °C

3: 47 percent / diethyl cyanophosphonate; triethylamine / dimethylformamide / 18 h / 25 °C

4: H₂ / Pd/C / methanol / 2 h / 25 °C

5: 8 mg / pyridine / 2 h / 0 °C

With pyridine; sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; diethyl cyanophosphonate; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; tert-butyl alcohol;
DOI:10.1021/jo050625l