None
AlkaPlorer ID: AK322829
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@H](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](CC(=O)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](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@@H](C)CC)C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)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(=N)O)C(C)C
InChI: InChI=1S/C115H202N32O31/c1-23-61(14)90(110(173)125-55-84(151)132-72(37-29-33-43-117)101(164)137-76(46-57(6)7)105(168)128-67(20)97(160)133-75(40-41-85(152)153)103(166)134-74(39-31-35-45-119)104(167)142-88(59(10)11)95(121)158)143-99(162)69(22)129-106(169)78(48-70-52-122-56-126-70)136-98(161)68(21)130-112(175)91(62(15)24-2)144-108(171)77(47-58(8)9)138-107(170)79(49-86(154)155)139-102(165)73(38-30-34-44-118)131-83(150)54-123-96(159)66(19)127-82(149)53-124-100(163)71(36-28-32-42-116)135-113(176)92(63(16)25-3)147-115(178)94(65(18)27-5)145-109(172)80(50-87(156)157)140-114(177)93(64(17)26-4)146-111(174)89(60(12)13)141-81(148)51-120/h52,56-69,71-80,88-94H,23-51,53-55,116-120H2,1-22H3,(H2,121,158)(H,122,126)(H,123,159)(H,124,163)(H,125,173)(H,127,149)(H,128,168)(H,129,169)(H,130,175)(H,131,150)(H,132,151)(H,133,160)(H,134,166)(H,135,176)(H,136,161)(H,137,164)(H,138,170)(H,139,165)(H,140,177)(H,141,148)(H,142,167)(H,143,162)(H,144,171)(H,145,172)(H,146,174)(H,147,178)(H,152,153)(H,154,155)(H,156,157)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-,89-,90-,91-,92-,93-,94-/m0/s1
InChIKey: NFHYRSMQNOVMMA-GKYQWFPJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2529.073999999996
TPSA?: 1096.9200000000003
MolLogP?: 14.187269999999968
Number of H-Donors: 35
Number of H-Acceptors: 34
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 320000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 320000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 320000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 320000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 0.69 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |
