Metabolites-BOC Sciences

A-42867 - CAS 122753-17-7

Catalog number: BBF-03150

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Catalog Number BBF-03150
CAS 122753-17-7
Description A-42867 is a glycopeptide antibiotic produced by Nocardia sp. ATCC 53492. It has activity against Gram-positive bacteria, mycobacteria, Enterococcus faecalis and Clostridium difficile.
Molecular Formula C72H86ClN9O28
Molecular Weight 1560.95
Antibiotic Activity Spectrum Gram-positive bacteria; mycobacteria
Synonyms Antibiotic 42867; 22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)-44-O-(O-(6-deoxy-alpha-D-mannopyranosyl)-D-glucosyl)vancomycin
IUPAC Name 2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-15-chloro-18,32,35,37-tetrahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[2,3,4-trihydroxy-5-oxo-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexoxy]-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(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid
Canonical SMILES CC1C(C(C(C(O1)OCC(=O)C(C(C(COC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C(C(=O)NC(C(=O)NC4C(=O)NC6C7=CC(=C(C=C7)O)C8=C(C=C(C=C8O)O)C(NC(=O)C(C(C9=CC=C(O3)C=C9)OC1CC(C(C(O1)C)O)(C)N)NC6=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)O)O)O)O)O)O
InChI InChI=1S/C72H86ClN9O28/c1-26(2)15-38(76-6)64(96)81-53-56(90)31-10-14-44(37(73)17-31)109-46-19-32-18-45(62(46)104-24-42(86)57(91)58(92)43(87)25-105-71-60(94)59(93)55(89)27(3)107-71)108-34-11-7-29(8-12-34)61(110-48-23-72(5,75)63(95)28(4)106-48)54-69(101)80-52(70(102)103)36-20-33(83)21-41(85)49(36)35-16-30(9-13-40(35)84)50(66(98)82-54)79-67(99)51(32)78-65(97)39(22-47(74)88)77-68(53)100/h7-14,16-21,26-28,38-39,42,48,50-61,63,71,76,83-86,89-95H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,100)(H,78,97)(H,79,99)(H,80,101)(H,81,96)(H,82,98)(H,102,103)
InChI Key PEAKWELFUAMNDG-UHFFFAOYSA-N
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