None
AlkaPlorer ID: AK323149
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C=C(\N=C(O)[C@H](CC1=CN=CN1)N=C(O)/C(=C/C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CSC[C@@H]2N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@H]3CSC[C@@H](N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N)[C@H](C)CC)C(O)=N[C@@H](CCC(=N)O)C(O)=NCC(O)=N[C@H](CC(=N)O)C(O)=N[C@H](CC(=O)O)C(O)=NCC(O)=N[C@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N3)CSC[C@@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC3=CNC4=CC=CC=C34)N=C2O)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N1)C(O)=N[C@@H](CS)C(O)=N[C@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CS)C(=O)O
InChI: InChI=1S/C140H206N42O41S5/c1-12-68(10)112(181-108(189)55-153-114(197)79(28-21-39-149-140(146)147)163-121(204)82(31-35-103(144)184)165-122(205)83(32-36-109(190)191)162-113(196)69(11)142)137(220)179-99-62-227-60-98(177-125(208)86(42-66(6)7)167-120(203)80(27-19-20-38-141)157-105(186)52-154-116(199)92(48-111(194)195)172-130(213)91(47-104(145)185)159-107(188)53-152-115(198)81(164-132(99)215)30-34-102(143)183)135(218)178-97-59-226-58-95-117(200)155-54-106(187)158-85(41-65(4)5)124(207)180-100(63-228-61-96(176-126(209)87(43-67(8)9)168-133(97)216)134(217)170-88(44-70-49-150-77-25-17-15-23-73(70)77)127(210)166-84(123(206)175-95)33-37-110(192)193)138(221)182-40-22-29-101(182)136(219)161-76(14-3)118(201)171-90(46-72-51-148-64-156-72)129(212)160-75(13-2)119(202)173-93(56-224)131(214)169-89(128(211)174-94(57-225)139(222)223)45-71-50-151-78-26-18-16-24-74(71)78/h13-18,23-26,49-51,64-69,79-101,112,150-151,224-225H,12,19-22,27-48,52-63,141-142H2,1-11H3,(H2,143,183)(H2,144,184)(H2,145,185)(H,148,156)(H,152,198)(H,153,197)(H,154,199)(H,155,200)(H,157,186)(H,158,187)(H,159,188)(H,160,212)(H,161,219)(H,162,196)(H,163,204)(H,164,215)(H,165,205)(H,166,210)(H,167,203)(H,168,216)(H,169,214)(H,170,217)(H,171,201)(H,172,213)(H,173,202)(H,174,211)(H,175,206)(H,176,209)(H,177,208)(H,178,218)(H,179,220)(H,180,207)(H,181,189)(H,190,191)(H,192,193)(H,194,195)(H,222,223)(H4,146,147,149)/b75-13-,76-14-/t68-,69+,79+,80-,81+,82+,83+,84+,85+,86+,87+,88+,89-,90+,91-,92-,93+,94-,95-,96+,97+,98-,99-,100+,101+,112+/m1/s1
InChIKey: IAVVFTMXBPCKRR-GFDUBJJASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 3293.775999999991
TPSA？: 1421.0599999999995
MolLogP？: 14.28417999999995
Number of H-Donors: 49
Number of H-Acceptors: 46
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | MIC | 200.0 | nM | 10.1021/np500424y |
| Bacillus spizizenii | Bacillus spizizenii | MIC | 1400.0 | nM | 10.1021/np500424y |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 1400.0 | nM | 10.1021/np500424y |
| Enterococcus faecium | Enterococcus faecium | MIC | 100.0 | nM | 10.1021/np500424y |
| Kocuria rhizophila | Kocuria rhizophila | MIC | 700.0 | nM | 10.1021/np500424y |
| Listeria innocua | Listeria innocua | MIC | 700.0 | nM | 10.1021/np500424y |
| Listeria monocytogenes | Listeria monocytogenes | MIC | 400.0 | nM | 10.1021/np500424y |
| Listeria monocytogenes | Listeria monocytogenes | MIC | 500.0 | nM | 10.1021/np500424y |
| Priestia megaterium | Priestia megaterium | MIC | 400.0 | nM | 10.1021/np500424y |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 400.0 | nM | 10.1021/np500424y |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1400.0 | nM | 10.1021/np500424y |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2800.0 | nM | 10.1021/np500424y |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 2800.0 | nM | 10.1021/np500424y |
| Streptococcus agalactiae | Streptococcus agalactiae | MIC | 2800.0 | nM | 10.1021/np500424y |