Mureidomycin D
AlkaPlorer ID: AK061474
Synonym: 'Mureidomycin D'
IUPAC Name: 2-[[(2S)-1-[[(2R)-3-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(E)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]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@@H](C(O)=N/C=C1\CC(O)C(N2CCC(O)=NC2=O)O1)C(C)N(C)C(=O)[C@H](CC1=CC=CC(O)=C1)N=C(O)CN
InChI: InChI=1S/C40H53N9O13S/c1-21(48(2)36(57)28(43-32(54)19-41)16-22-6-4-8-24(50)14-22)33(35(56)42-20-26-18-30(52)37(62-26)49-12-10-31(53)46-40(49)61)47-34(55)27(11-13-63-3)44-39(60)45-29(38(58)59)17-23-7-5-9-25(51)15-23/h4-9,14-15,20-21,27-30,33,37,50-52H,10-13,16-19,41H2,1-3H3,(H,42,56)(H,43,54)(H,47,55)(H,58,59)(H2,44,45,60)(H,46,53,61)/b26-20+/t21?,27-,28-,29?,30?,33+,37?/m0/s1
InChIKey: HVIYMDRGURCMHG-UBYREJIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces filamentosus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 899.9809999999998
TPSA？: 348.84000000000003
MolLogP？: 2.104700000000004
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|