Muraymycin A; Muraymycin A1 

AlkaPlorer ID: AK307048

Synonym: None

IUPAC Name: 2-[[2-[[1-[3-[[2-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[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-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

Structure

SMILES: COC1C(OC(C(NCCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C(=O)O)C2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CN)C1O

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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)

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InChIKey: SIMBTKIJSDLMPW-UHFFFAOYSA-N

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Reference

PubChem CID: 9920017

COCONUT: CNP0303307.2

Properties Information

Molecule Weight: 1215.3709999999996

TPSA: 512.0

MolLogP: -3.258760000000023

Number of H-Donors: 18

Number of H-Acceptors: 22

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information