Metabolites-BOC Sciences

A41030A - CAS 89139-41-3

Catalog number: BBF-03145

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Catalog Number BBF-03145
CAS 89139-41-3
Description A41030A is a glycopeptide antibiotic produced by Streptomyces virginiae A41030. Activity against gram-positive bacteria.
Molecular Formula C58H44Cl3N7O18
Molecular Weight 1233.36
Antibiotic Activity Spectrum Gram-positive bacteria
Synonyms Desulfo-A47394
IUPAC Name (1S,2R,19S,22R,34S,37R,40R,52R)-22-amino-5,15,43-trichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Canonical SMILES C1C2C(=O)NC(C3=CC(=CC(=C3)OC4=C(C=CC(=C4)C(C(=O)N2)N)O)O)C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C(=CC(=C2)C(C(=O)N8)NC5=O)Cl)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
InChI InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43+,44-,45+,46+,47+,48-,49+/m0/s1
InChI Key KJTFTWQSEBLIPM-RIZHWKQXSA-N
Density 1.6±0.1 g/cm3
Solubility Soluble in Water
Appearance White Crystal Powder
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