Tyrocidine C
AlkaPlorer ID: AK064030
Synonym: None
IUPAC Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-24,27-bis(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CCCN)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C70H89N15O13/c1-38(2)30-51-63(91)83-56(32-40-14-6-5-7-15-40)70(98)85-29-13-21-57(85)68(96)82-54(34-43-37-75-48-19-11-9-17-46(43)48)65(93)80-53(33-42-36-74-47-18-10-8-16-45(42)47)64(92)81-55(35-59(73)88)66(94)76-50(26-27-58(72)87)62(90)79-52(31-41-22-24-44(86)25-23-41)67(95)84-60(39(3)4)69(97)77-49(20-12-28-71)61(89)78-51/h5-11,14-19,22-25,36-39,49-57,60,74-75,86H,12-13,20-21,26-35,71H2,1-4H3,(H2,72,87)(H2,73,88)(H,76,94)(H,77,97)(H,78,89)(H,79,90)(H,80,93)(H,81,92)(H,82,96)(H,83,91)(H,84,95)/t49-,50-,51-,52-,53+,54-,55-,56+,57-,60-/m0/s1
InChIKey: NJMWWUADORPGGY-AJOXBXEMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brevibacillus brevis | Brevibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1348.574
TPSA？: 479.6100000000001
MolLogP？: 10.23774
Number of H-Donors: 17
Number of H-Acceptors: 14
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | 50.0 | % | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | Activity | 1.48 | % | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | Activity | 66.0 | % | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | IC50 | 7000.0 | nM | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | IC50 | 9500.0 | nM | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | ICmax | 11.0 | uM | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | ICmax | 13.0 | uM | 10.1016/j.bmc.2009.06.029 |
| Listeria monocytogenes | Listeria monocytogenes | T1/2 | 0.52 | hr | 10.1016/j.bmc.2009.06.029 |
| Micrococcus luteus | Micrococcus luteus | IC50 | 6400.0 | nM | 10.1016/j.bmc.2009.06.029 |
| Micrococcus luteus | Micrococcus luteus | ICmax | 9.0 | uM | 10.1016/j.bmc.2009.06.029 |