None
AlkaPlorer ID: AK322824
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](N=C(O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](C)C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(=O)O)C(C)C)[C@@H](C)CC
InChI: InChI=1S/C149H250N42O44S/c1-22-78(13)119(145(230)167-84(19)125(210)172-94(47-50-113(200)201)131(216)174-91(44-32-37-56-153)135(220)187-117(76(9)10)143(228)163-72-111(198)170-97(59-74(5)6)138(223)182-101(63-106(157)193)140(225)176-90(43-31-36-55-152)130(215)183-102(65-115(204)205)128(213)162-71-112(199)171-104(149(234)235)64-107(158)194)188-136(221)92(45-33-38-57-154)175-132(217)95(48-51-114(202)203)178-134(219)96(52-58-236-21)173-124(209)83(18)166-137(222)100(62-87-68-159-73-164-87)180-126(211)85(20)168-146(231)120(79(14)23-2)189-141(226)98(60-75(7)8)181-133(218)93(46-49-105(156)192)177-129(214)89(42-30-35-54-151)169-110(197)70-160-123(208)82(17)165-109(196)69-161-127(212)88(41-29-34-53-150)179-147(232)121(80(15)24-3)191-148(233)122(81(16)25-4)190-142(227)103(66-116(206)207)184-139(224)99(61-86-39-27-26-28-40-86)185-144(229)118(77(11)12)186-108(195)67-155/h26-28,39-40,68,73-85,88-104,117-122H,22-25,29-38,41-67,69-72,150-155H2,1-21H3,(H2,156,192)(H2,157,193)(H2,158,194)(H,159,164)(H,160,208)(H,161,212)(H,162,213)(H,163,228)(H,165,196)(H,166,222)(H,167,230)(H,168,231)(H,169,197)(H,170,198)(H,171,199)(H,172,210)(H,173,209)(H,174,216)(H,175,217)(H,176,225)(H,177,214)(H,178,219)(H,179,232)(H,180,211)(H,181,218)(H,182,223)(H,183,215)(H,184,224)(H,185,229)(H,186,195)(H,187,220)(H,188,221)(H,189,226)(H,190,227)(H,191,233)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,234,235)/t78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,117-,118-,119-,120-,121-,122-/m0/s1
InChIKey: YTJSUGGFPFEERS-PEAPCRFPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 3365.95599999999
TPSA？: 1513.8299999999997
MolLogP？: 16.753409999999995
Number of H-Donors: 49
Number of H-Acceptors: 47
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 120000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 240000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 240000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 240000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 0.0 | % | 10.1021/np500907t |
| None | ADMET | Activity | 0.69 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |