Mureidomycin E
AlkaPlorer ID: AK032431
Synonym: 'Mureidomycin E'
IUPAC Name: 2-[[(2S)-1-[[2-amino-3-[(8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Structure
SMILES: CSCC[C@H](N=C(O)NC(CC1=CC=CC(O)=C1)C(=O)O)C(=O)N(/C=C1\CC(O)C(N2C=CC(O)=NC2=O)O1)C(=O)C(N)C(C)N(C)C(=O)C1CC2=CC=CC(O)=C2CN1
InChI: InChI=1S/C39H48N8O12S/c1-20(45(2)33(52)27-16-22-7-5-9-29(49)25(22)18-41-27)32(40)35(54)47(19-24-17-30(50)36(59-24)46-12-10-31(51)44-39(46)58)34(53)26(11-13-60-3)42-38(57)43-28(37(55)56)15-21-6-4-8-23(48)14-21/h4-10,12,14,19-20,26-28,30,32,36,41,48-50H,11,13,15-18,40H2,1-3H3,(H,55,56)(H2,42,43,57)(H,44,51,58)/b24-19+/t20?,26-,27?,28?,30?,32?,36?/m0/s1
InChIKey: ZZUYKUQLXZOTKJ-HZDUZTPTSA-N
Reference
Mureidomycins E and F, minor components of mureidomycins.
PubChem CID: 3037824
CAS: 126049-02-3
LOTUS: LTS0246480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces flavidovirens | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 852.9239999999999
TPSA？: 302.7
MolLogP？: 0.0464000000000063
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|