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benzyl (4R)-4-{[(2R)-2-{[(2S)-2-{[(2S,3R,4R,5S,6S)-3-(acetylamino)-5-(acetyloxy)-2-(benzyloxy)-6-(octadecylcarbamoyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoate (non-preferred name)

Catalog ID
STL565394
SMILES CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1O[C@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)O[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCC(=O)OCc1ccccc1)C)C)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C53H81N5O12 MW 980.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C53H81N5O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34-55-52(65)48-47(69-40(5)60)46(45(57-39(4)59)53(70-48)67-36-42-30-25-22-26-31-42)68-38(3)51(64)56-37(2)50(63)58-43(49(54)62)32-33-44(61)66-35-41-28-23-21-24-29-41/h21-26,28-31,37-38,43,4
InChIKey
UYDBJCWAOQKLSC-ADBHKHPQSA-N
Synonyms
1491139-71-9
(R)benzyl4((R)2((S)2(((2S3R4R5S6S)3acetamido5acetoxy2(benzyloxy)6(octadecylcarbamoyl)tetrahydro2Hpyran4yl)oxy)propanamido)propanamido)5amino5oxopentanoate
1491139719
16395443
BENZYL(4R)4(((2R)2(((2S)2(((2S3R4R5S6S)3(ACETYLAMINO)5(ACETYLOXY)2(BENZYLOXY)6(OCTADECYLCARBAMOYL)TETRAHYDRO2HPYRAN4YL)OXY)PROPANOYL)AMINO)PROPANOYL)AMINO)5AMINO5OXOPENTANOA
benzyl(4R)4(((2R)2(((2S)2(((2S3R4R5S6S)3(acetylamino)5(acetyloxy)2(benzyloxy)6(octadecylcarbamoyl)tetrahydro2Hpyran4yl)oxy)propanoyl)amino)propanoyl)amino)5amino5oxopentanoate(nonpreferredname)
benzyl(4R)4(((2R)2(((2S)2((2S3S4R5R6S)5acetamido3acetyloxy2(octadecylcarbamoyl)6phenylmethoxyoxan4yl)oxypropanoyl)amino)propanoyl)amino)5amino5oxopentanoate
CCCCCCCCCCCCCCCCCCNC(=O)(C@H)1O(C@H)(OCc2ccccc2)(C@@H)((C@H)((C@@H)1OC(=O)C)O(C@H)(C(=O)N(C@@H)(C(=O)N(C@@H)(C(=O)N)CCC(=O)OCc1ccccc1)C)C)NC(=O)C
InChI=1SC53H81N5O12c16789101112131415161718192027345552(65)4847(6940(5)60)46(45(5739(4)59)53(7048)673642302522263142)6838(3)51(64)5637(2)50(63)5843(49(54)62)323344(61)663541282321242941h21262831373843454853H620273236H215H3(H25462)(H5565)(H5664)(H5759
MFCD32651656
ZINC000150345847

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Available files

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