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N-[5-[[(3-Amino-3-Iminopropyl)Amino]Carbonyl]-1-Methyl-1H-Pyrrol-3-Yl]-2-(Formylamino)-4-Thiazolecarboxamide
[CAS# 1264-57-9]

Identification
Name N-[5-[[(3-Amino-3-Iminopropyl)Amino]Carbonyl]-1-Methyl-1H-Pyrrol-3-Yl]-2-(Formylamino)-4-Thiazolecarboxamide
Synonyms S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Decanethioate; Decanethioic Acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; Decanethioic Acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
Molecular Structure CAS#: 1264-57-9, N-[5-[[(3-Amino-3-Iminopropyl)Amino]Carbonyl]-1-Methyl-1H-Pyrrol-3-Yl]-2-(Formylamino)-4-Thiazolecarboxamide
Molecular Formula C31H54N7O17P3S
Molecular Weight 921.79
CAS Registry Number 1264-57-9
SMILES [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)(C)C)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
InChI 1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1
InChIKey CNKJPHSEFDPYDB-HSJNEKGZSA-N
Properties
Desity 1.666g/cm3 (Cal.)
Safety Data
SDS Available
References
(1) Fouzia A. Sattar, Daniel J. Darley, Francesco Politano, Timothy J. Woodman, Michael D. Threadgill and Matthew D. Lloyd. Unexpected stereoselective exchange of straight-chain fatty acyl-CoA α-protons by human α-methylacyl-CoA racemase 1A (P504S), Chem. Commun., 2010, 46, 3348.
Market Analysis Reports
List of Reports Available for N-[5-[[(3-Amino-3-Iminopropyl)Amino]Carbonyl]-1-Methyl-1H-Pyrrol-3-Yl]-2-(Formylamino)-4-Thiazolecarboxamide
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