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Alanine, 3-[[2-acetamido-4-O-(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)-2-deoxy-.beta.-D-glucopyranosyl]oxy]-N-carboxy-, N-benzyl methyl ester, pentaacetate (ester), L-
SpectraBase Compound ID 8iCGjVHa3wf
InChI InChI=1S/C38H51N3O20/c1-18(42)39-29-33(57-23(6)47)32(61-37-30(40-19(2)43)34(58-24(7)48)31(56-22(5)46)27(60-37)16-52-20(3)44)28(17-53-21(4)45)59-36(29)54-15-26(35(49)51-8)41-38(50)55-14-25-12-10-9-11-13-25/h9-13,26-34,36-37H,14-17H2,1-8H3,(H,39,42)(H,40,43)(H,41,50)
InChIKey JMQOGXUDRNIZTP-UHFFFAOYSA-N
Mol Weight 869.8 g/mol
Molecular Formula C38H51N3O20
Exact Mass 869.306591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4aVX5trlUt
Name Alanine, 3-[[2-acetamido-4-O-(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)-2-deoxy-.beta.-D-glucopyranosyl]oxy]-N-carboxy-, N-benzyl methyl ester, pentaacetate (ester), L-
CAS Registry Number 32887-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H51N3O20
InChI InChI=1S/C38H51N3O20/c1-18(42)39-29-33(57-23(6)47)32(61-37-30(40-19(2)43)34(58-24(7)48)31(56-22(5)46)27(60-37)16-52-20(3)44)28(17-53-21(4)45)59-36(29)54-15-26(35(49)51-8)41-38(50)55-14-25-12-10-9-11-13-25/h9-13,26-34,36-37H,14-17H2,1-8H3,(H,39,42)(H,40,43)(H,41,50)
InChIKey JMQOGXUDRNIZTP-UHFFFAOYSA-N
Molecular Weight 869.827 g/mol
SMILES N(C1C(OC(C(OC2OC(C(C(C2NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C1OC(C)=O)COC(C)=O)OCC(C(=O)OC)NC(=O)OCc1ccccc1)C(C)=O
SPLASH splash10-0006-4911000000-f43f6272e4c03aa55f8e
Source of Spectrum AU-20-281-7
Synonyms Methyl 2-([(benzyloxy)carbonyl]amino)-3-((3,6-di-O-acetyl-2-(acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]hexopyranosyl)oxy)propanoate 3-[3-acetamido-5-[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(benzyloxycarbonylamino)propionic acid methyl ester 3-[[3-acetamido-5-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl 3-[3-acetamido-5-[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(benzyloxycarbonylamino)propanoate Methyl 3-[3-acetamido-5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoate
Wiley ID 1417828