None
AlkaPlorer ID: AK322825
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@H](C)N=C(O)[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@@H](C)CC)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
InChI: InChI=1S/C146H246N42O42S/c1-22-77(13)117(142(225)165-83(19)123(206)171-93(47-49-112(198)199)130(213)173-91(45-33-38-55-151)133(216)184-115(75(9)10)140(223)161-71-110(196)169-95(57-73(5)6)135(218)179-99(61-104(154)190)137(220)174-90(44-32-37-54-150)129(212)180-100(63-113(200)201)127(210)160-70-111(197)170-102(146(229)230)62-105(155)191)185-132(215)89(43-31-36-53-149)168-109(195)69-159-126(209)94(50-56-231-21)172-122(205)82(18)164-134(217)98(60-86-66-156-72-162-86)177-124(207)84(20)166-143(226)118(78(14)23-2)186-138(221)96(58-74(7)8)178-131(214)92(46-48-103(153)189)175-128(211)88(42-30-35-52-148)167-108(194)68-157-121(204)81(17)163-107(193)67-158-125(208)87(41-29-34-51-147)176-144(227)119(79(15)24-3)188-145(228)120(80(16)25-4)187-139(222)101(64-114(202)203)181-136(219)97(59-85-39-27-26-28-40-85)182-141(224)116(76(11)12)183-106(192)65-152/h26-28,39-40,66,72-84,87-102,115-120H,22-25,29-38,41-65,67-71,147-152H2,1-21H3,(H2,153,189)(H2,154,190)(H2,155,191)(H,156,162)(H,157,204)(H,158,208)(H,159,209)(H,160,210)(H,161,223)(H,163,193)(H,164,217)(H,165,225)(H,166,226)(H,167,194)(H,168,195)(H,169,196)(H,170,197)(H,171,206)(H,172,205)(H,173,213)(H,174,220)(H,175,211)(H,176,227)(H,177,207)(H,178,214)(H,179,218)(H,180,212)(H,181,219)(H,182,224)(H,183,192)(H,184,216)(H,185,215)(H,186,221)(H,187,222)(H,188,228)(H,198,199)(H,200,201)(H,202,203)(H,229,230)/t77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,115-,116-,117-,118-,119-,120-/m0/s1
InChIKey: UOYACELNTJSDCI-HJWYANADSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 3293.8929999999914
TPSA？: 1476.5299999999995
MolLogP？: 16.520009999999985
Number of H-Donors: 48
Number of H-Acceptors: 46
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np500907t |
| Escherichia coli | Escherichia coli | MIC | 60000.0 | 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 | 0.06 | % | 10.1021/np500907t |
| None | ADMET | Activity | 13.72 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |