Metabolites-BOC Sciences

A21459 B

A21459 B

Catalog number: BBF-03131

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Catalog Number BBF-03131
Description A21459 B is a cyclic peptide antibiotic produced by Actinoplanes sp. It has anti-clostridium (MIC 0.03-8 μg/mL) and mycoplasma (MIC 2 μg/mL) activity.
Molecular Formula C40H44N10O8S
Molecular Weight 824.90
Antibiotic Activity Spectrum mycoplasma
Synonyms A21459B
IUPAC Name 4-(1H-indol-3-ylmethyl)-7-[(5-methoxy-1H-indol-3-yl)methyl]-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone
Canonical SMILES CC1C(=O)NC(=C)C(=O)N(CC(=O)NC(C2=NC(=CS2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC3=CNC4=C3C=C(C=C4)OC)CC5=CNC6=CC=CC=C65)C)C
InChI InChI=1S/C40H44N10O8S/c1-20-35(53)46-22(3)40(57)50(4)18-34(52)45-21(2)39-49-32(19-59-39)38(56)48-31(12-23-15-41-28-9-7-6-8-26(23)28)37(55)47-30(36(54)43-17-33(51)44-20)13-24-16-42-29-11-10-25(58-5)14-27(24)29/h6-11,14-16,19-21,30-31,41-42H,3,12-13,17-18H2,1-2,4-5H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,56)
InChI Key LMCHTEAQLRMIOY-UHFFFAOYSA-N
Boiling Point 1380.7±0.0°C at 760 mmHg
Density 1.5±0.1 g/cm3
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