Nicrophorusamide B
AlkaPlorer ID: AK110643
Synonym: None
IUPAC Name: 2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Structure
SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChI: InChI=1S/C37H56ClN9O7/c1-7-20(6)31-37(54)42-25(9-8-12-39)32(49)44-28(16-29(40)48)33(50)43-27(14-21-17-41-24-11-10-22(38)15-23(21)24)35(52)46-30(19(4)5)36(53)45-26(13-18(2)3)34(51)47-31/h10-11,15,17-20,25-28,30-31,41H,7-9,12-14,16,39H2,1-6H3,(H2,40,48)(H,42,54)(H,43,50)(H,44,49)(H,45,53)(H,46,52)(H,47,51)/t20-,25+,26-,27+,28-,30-,31+/m1/s1
InChIKey: PEMAVRCFFHULRD-LPSNZJNWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microbacterium sp. | Microbacterium | Microbacteriaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 774.3639999999997
TPSA？: 259.5
MolLogP？: 0.6487000000000076
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00506 |
| Enterococcus faecium | Enterococcus faecium | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00506 |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | K562 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | SK-HEP1 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Homo sapiens | SNU-638 | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00506 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |
| Trichophyton rubrum | Trichophyton rubrum | Activity | nan | None | 10.1021/acs.jnatprod.7b00506 |