(2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nβ-acetylstreptothricin D
AlkaPlorer ID: AK021039
Synonym: None
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
Structure
SMILES: CC(O)=N[C@@H](CCCN=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN)CC(O)=N[C@@H]1[C@H](O)[C@@H](O)[C@@H](COC(=N)O)O[C@H]1NC1=N[C@@H]2[C@H](O)CN=C(O)[C@H]2N1
InChI: InChI=1S/C33H60N12O11/c1-16(46)41-19(7-4-10-39-23(49)12-18(36)6-3-9-38-22(48)11-17(35)5-2-8-34)13-24(50)42-27-29(52)28(51)21(15-55-32(37)54)56-31(27)45-33-43-25-20(47)14-40-30(53)26(25)44-33/h17-21,25-29,31,47,51-52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,48)(H,39,49)(H,40,53)(H,41,46)(H,42,50)(H2,43,44,45)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,31+/m0/s1
InChIKey: NCCCZGXVMRHANP-YFZUDYRPSA-N
Reference
Three new 12-carbamoylated streptothricins from Streptomyces sp. I08A 1776
PubChem CID: 70693301
LOTUS: LTS0019634
NPASS: NPC10897
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. I08A 1776 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 800.9160000000002
TPSA？: 400.6600000000001
MolLogP？: -1.73323
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 64.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Candida albicans | Candida albicans | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Morganella morganii | Morganella morganii | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | nan | None | 10.1016/j.bmcl.2012.08.003 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |