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Muraymycin A1

AlkaPlorer ID: AK014541

Synonym: None

IUPAC Name: (2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-2-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-3-[13-[carbamimidoyl(hydroxy)amino]tridecanoyloxy]-4-methyl-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

Structure

SMILES: CO[C@H]1[C@H](O[C@H]([C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2O)[C@H](NCCCN=C(O)[C@@H](N=C(O)[C@@H](NC(O)=N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@@H](OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O

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InChI: InChI=1S/C52H90N14O19/c1-26(2)32(46(74)75)63-51(78)64-33(28-18-22-59-50(56)60-28)44(73)62-34(39(27(3)4)83-31(68)17-14-12-10-8-6-7-9-11-13-15-23-66(80)49(54)55)43(72)58-21-16-20-57-35(47(76)77)40(85-48-42(81-5)36(69)29(25-53)82-48)41-37(70)38(71)45(84-41)65-24-19-30(67)61-52(65)79/h19,24,26-29,32-42,45,48,57,69-71,80H,6-18,20-23,25,53H2,1-5H3,(H3,54,55)(H,58,72)(H,62,73)(H,74,75)(H,76,77)(H3,56,59,60)(H,61,67,79)(H2,63,64,78)/t28-,29+,32-,33-,34-,35-,36+,37-,38+,39-,40-,41-,42+,45+,48-/m0/s1

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InChIKey: SIMBTKIJSDLMPW-SDTQCLEHSA-N

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Properties Information

Molecule Weight: 1215.3709999999992

TPSA？: 522.73

MolLogP？: -0.9614600000000112

Number of H-Donors: 18

Number of H-Acceptors: 23

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli MIC 0.03 ug.mL-1 10.1021/acs.jnatprod.7b01054
Staphylococcus aureus Staphylococcus aureus ED50 1.1 mg.kg-1 10.1021/acs.jnatprod.7b01054

Metabolism Information