Chemical Compound

(4S,7R,8R,23R,24S,27S,31aSa,37R,39aR)-45-[[2-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-8,23,29,31,33-pentahydroxy-7-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-9,12:19,22-dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-14H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid; 23H-9,12:19,22-Dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-17H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid, 45-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-8,23,29,31,33-pentahydroxy-7-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,6,25,39,40-pe

CAS Registry Number 55598-85-1
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(4S,7R,8R,23R,24S,27S,31aSa,37R,39aR)-45-[[2-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-8,23,29,31,33-pentahydroxy-7-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-9,12:19,22-dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-14H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid; 23H-9,12:19,22-Dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-17H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid, 45-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-8,23,29,31,33-pentahydroxy-7-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,6,25,39,40-pe 结构式
Primary record

(4S,7R,8R,23R,24S,27S,31aSa,37R,39aR)-45-[[2-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-8,23,29,31,33-pentahydroxy-7-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-9,12:19,22-dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-14H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid; 23H-9,12:19,22-Dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-17H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid, 45-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-8,23,29,31,33-pentahydroxy-7-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,6,25,39,40-pe

库存
5,875 克
纯度
98.7 %
CAS
55598-85-1

化合物标识与属性

CAS
55598-85-1
PubChem CID
169447648
SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@@H](CC(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)C(=O)O)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
Canonical SMILES
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@H](C(=O)O)CC(=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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

名称与同义词

  • Vancomycin CDP-1
  • Desamidovancomycin B
  • Vancomycin EP Impurity B
  • Vancomycin EP Impurity E
  • Vancomycin CDP-1 (>85%)
  • 55598-85-1
  • (4S,7R,8R,23R,24S,27S,31aSa,37R,39aR)-45-[[2-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-8,23,29,31,33-pentahydroxy-7-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-9,12:19,22-dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-14H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid; 23H-9,12:19,22-Dietheno-24,37-(iminomethano)-14,17:32,36-dimetheno-17H-[1,6,10]oxadiazacycloheptadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-4,27-dicarboxylic acid, 45-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-ss-D-glucopyranosyl]oxy]-11,20-dichloro-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-8,23,29,31,33-pentahydroxy-7-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,6,25,39,40-pe
  • (4S,7R,8R,23R,24S,27S,37R,39aR)-45-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-20,46-dichloro-8,23,29,31,33-pentahydroxy-7-((R)-4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid
  • 555598-85-1