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Mechercharmycin A

AlkaPlorer ID: AK056486

Synonym: None

IUPAC Name: (20R,23S)-20-[(2S)-butan-2-yl]-26-methylidene-16-phenyl-23-propan-2-yl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,18,21,24,27(30)-tridecaene-18,21,24-triol

Structure

SMILES: C=C1N=C(O)[C@H](C(C)C)N=C(O)[C@@H]([C@@H](C)CC)N=C(O)C2=C(C3=CC=CC=C3)OC(=N2)C2=COC(=N2)C2=CSC(=N2)C2=COC(=N2)C2=COC1=N2

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InChI: InChI=1S/C35H32N8O7S/c1-6-17(4)25-29(45)41-24(16(2)3)28(44)36-18(5)31-37-20(12-47-31)32-39-22(14-49-32)35-40-23(15-51-35)33-38-21(13-48-33)34-43-26(30(46)42-25)27(50-34)19-10-8-7-9-11-19/h7-17,24-25H,5-6H2,1-4H3,(H,36,44)(H,41,45)(H,42,46)/t17-,24-,25+/m0/s1

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InChIKey: YIJVJFCLUNYXQX-WGXRPPGPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Thermoactinomyces sp. Thermoactinomyces Thermoactinomycetaceae Bacillales Bacilli Bacillota None Bacteria

Properties Information

Molecule Weight: 708.7570000000001

TPSA？: 214.77999999999992

MolLogP？: 8.071300000000006

Number of H-Donors: 3

Number of H-Acceptors: 13

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information