Chemical Compound

Vancomycin aglycon

CAS Registry Number 82198-76-3
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Vancomycin aglycon chemical structure
Primary Record

Vancomycin aglycon

In stock
7,114 g
Purity
98.4 %
CAS
82198-76-3

Compound Identifiers & Properties

CAS
82198-76-3
PubChem CID
445835
SMILES
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
Canonical SMILES
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)[C@H]1O

Names & Synonyms

  • Vancomycin aglycon
  • Aglucovancomycin B
  • Balhimycin aglycon
  • vancomycin aglycone
  • Aglucovancomycin
  • Aglycovancomycin
  • Vancomycin EP Impurity C
  • CTG4FW5MNE
  • AC1L9INC
  • 82198-76-3
  • RefChem:1100937
  • CHEBI:47724
  • CHEMBL439343
  • SCHEMBL18089766
  • SCHEMBL29354980
  • JHIKFOISFAQTJQ-YZANBJIASA-N
  • CID445835
  • AV28666
  • J557.388B
  • C20719
  • Q27120784
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
  • B1370-264348
  • (3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-3-(Carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
  • (1S,2R,18R,19R,22S,25R,28R,40S)-48-Hydroxy-22-(carbamoylmethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentacontane-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
  • (2-amino-2-oxo-ethyl)-dichloro-hexahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid
  • (3R)-3beta,18beta-[(4-Hydroxy-1,3-phenylene)(4,6-dihydroxy-1,2-phenylene)[(S)-carboxymethylene]iminocarbonyl]-9,6alpha-[oxy(2-chloro-1,4-phenylene)[(1R,2R)-1-hydroxy-2-(N-methyl-D-leucylamino)-3-oxopropane-1,3-diyl]imino[(1S)-1-(2-oxo-2-aminoethyl)-2-oxoethane-1,2-diyl]imino]-10,17beta-dihydroxy-14-chloro-11,7-metheno-13,16-etheno-12-oxa-1,4-diazacyclooctadecane-8,10,13,15-tetrene-2,5-dione
  • (9R,10S,13S,21R,24R,27S,30R,31R)-2,9,17,31,43,45-Hexahydroxy-6,34-dichloro-10,21-(iminocarbonyl)-11,23,26,29-tetraoxo-27-(2-oxo-2-aminoethyl)-30-(N-methyl-D-leucylamino)-38,3:20,16-dimetheno-5,8:32,35-dietheno-14,15-[1,3]butadieno-4,36-dioxa-12,22,25,28-tetraazabicyclo[22.12.2]octatriacontane-1,5,7,14,17,19,32,34,37-nonene-13-carboxylic acid
  • 44-Hydroxy-44-des[2-O-(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyloxy]vancomycin
  • 44-Hydroxy-44-des[2-O-(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-galactopyranosyl)-beta-D-glucopyranosyloxy]vancomycin
  • 44-O-De[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 44-O-De[2-O-(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 44-O-De[2-O-(3-C-methyl-3-amino-2,3,6-trideoxy-alpha-L-galactopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 44-O-Des[2-O-(3-amino-3-methyl-2,3,6-trideoxy-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 44-O-Des[2-O-(3-C-methyl-3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin