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(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid

Catalog No. :
ACOVYY116
CAS No. :
171099-57-3
Molecular Formula :
C86H97Cl3N10O26
Molecular Weight :
1793.13

IUPAC Name:(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid

(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid structure diagram
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Product Name(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid
IUPAC Name(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid
Molecular FormulaC86H97Cl3N10O26
Molecular Weight1793.13
SMILESCN[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)C4=C(C(O)=CC(O)=C4)C4=CC3=CC=C4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)C3=CC=C(OC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@H]5C[C@](C)(NCC6=CC=C(C7=CC=C(Cl)C=C7)C=C6)[C@@H](O)[C@H](C)O5)C(=CC2=C4)OC2=CC=C(C=C2Cl)[C@H]1O)C(Cl)=C3
InChI KeyVHFGEBVPHAGQPI-LXKZPTCJSA-N
SynonymORITAVANCIN;Oritavancin (LY333328);(4R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-arabinohexopyranosyl)-N3-(p-(p-chlorophenyl)benzyl)vancomycin;(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N3''-[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]vancomycin;LY 333328;Orbactiv;Oritavancin (Lyophilized Powder For IV Infusion);rideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-g
CAS No.171099-57-3

Synthetic Route by SureRoute

1. ACOVYY116 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOVYY116 route product structure diagram
    ACOVYY116171099-57-3
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2. ACOVYY116 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOVYY116 route product structure diagram
    ACOVYY116171099-57-3
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