None
AlkaPlorer ID: AK323236
Synonym: None
IUPAC Name: 3-[(3S,6S,9R,15S,21S,24S,27S,30S,33S)-6-(3-amino-3-oxopropyl)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-7,10,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-9,30-di(propan-2-yl)-25-oxa-1,4,7,10,13,19,22,28,31-nonazatricyclo[31.4.0.015,19]heptatriacontan-27-yl]propanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CCC(=N)O)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)CC)OC(=O)[C@H](CCC(=O)O)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@@H]2CCCCN2C1=O
InChI: InChI=1S/C57H88N10O14/c1-12-34(7)46-55(78)67-28-18-17-22-40(67)51(74)61-45(32(3)4)54(77)64(10)41(25-27-44(70)71)57(80)81-48(35(8)13-2)52(75)60-37(30-36-20-15-14-16-21-36)53(76)66-29-19-23-39(66)49(72)59-31-43(69)65(11)47(33(5)6)56(79)63(9)38(50(73)62-46)24-26-42(58)68/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,68)(H,59,72)(H,60,75)(H,61,74)(H,62,73)(H,70,71)/t34-,35-,37-,38-,39-,40-,41-,45-,46-,47+,48-/m0/s1
InChIKey: DJDJISZVDIETFI-OGWUYWSXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clohesyomyces sp. | Clohesyomyces | Lindgomycetaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1137.387
TPSA？: 339.59
MolLogP？: 5.523870000000016
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 98.0 | ug.mL-1 | 10.1016/j.bmc.2016.11.059 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 98.0 | ug.mL-1 | 10.1016/j.bmc.2016.11.059 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 98.0 | ug.mL-1 | 10.1016/j.bmc.2016.11.059 |
| None | NON-PROTEIN TARGET | MIC | 98.0 | ug.mL-1 | 10.1016/j.bmc.2016.11.059 |