None
AlkaPlorer ID: AK324347
Synonym: None
IUPAC Name: (2S)-2-[[(1S)-2-[[(2S)-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]-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](CC(C)C)N=C(O)[C@@H](NC(O)=N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)C(=O)O)O[C@H](CN)[C@H]1O
InChI: InChI=1S/C38H63N11O16/c1-15(2)13-18(44-31(55)22(17-7-11-43-36(40)45-17)48-37(60)47-21(16(3)4)33(56)57)30(54)42-10-6-9-41-23(34(58)59)27(65-35-29(62-5)24(51)19(14-39)63-35)28-25(52)26(53)32(64-28)49-12-8-20(50)46-38(49)61/h8,12,15-19,21-29,32,35,41,51-53H,6-7,9-11,13-14,39H2,1-5H3,(H,42,54)(H,44,55)(H,56,57)(H,58,59)(H3,40,43,45)(H,46,50,61)(H2,47,48,60)/t17-,18-,19+,21-,22-,23-,24+,25-,26+,27-,28-,29+,32+,35-/m0/s1
InChIKey: PYDLGKOEXDWDIN-ZENDNQBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. NRRL 30471 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 929.983
TPSA？: 423.09
MolLogP？: -3.358930000000012
Number of H-Donors: 15
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 11.0 | nM | 10.1021/acs.jnatprod.7b01054 |