None
AlkaPlorer ID: AK322827
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)[C@H](CC(=O)O)N=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(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/C119H201N33O32S/c1-20-64(12)95(117(182)134-69(17)101(166)137-78(41-43-89(157)158)106(171)139-76(39-29-33-48-123)109(174)148-92(61(6)7)98(126)163)150-108(173)74(37-27-31-46-121)136-88(156)58-129-103(168)79(44-49-185-19)138-100(165)68(16)132-110(175)82(52-72-56-127-59-130-72)142-102(167)70(18)133-115(180)94(63(10)11)149-113(178)80(50-60(4)5)143-107(172)77(40-42-85(125)153)140-104(169)73(36-26-30-45-120)135-87(155)57-128-99(164)67(15)131-111(176)83(53-90(159)160)144-105(170)75(38-28-32-47-122)141-118(183)96(65(13)21-2)152-119(184)97(66(14)22-3)151-114(179)84(54-91(161)162)145-112(177)81(51-71-34-24-23-25-35-71)146-116(181)93(62(8)9)147-86(154)55-124/h23-25,34-35,56,59-70,73-84,92-97H,20-22,26-33,36-55,57-58,120-124H2,1-19H3,(H2,125,153)(H2,126,163)(H,127,130)(H,128,164)(H,129,168)(H,131,176)(H,132,175)(H,133,180)(H,134,182)(H,135,155)(H,136,156)(H,137,166)(H,138,165)(H,139,171)(H,140,169)(H,141,183)(H,142,167)(H,143,172)(H,144,170)(H,145,177)(H,146,181)(H,147,154)(H,148,174)(H,149,178)(H,150,173)(H,151,179)(H,152,184)(H,157,158)(H,159,160)(H,161,162)/t64-,65-,66-,67-,68-,69-,70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-,95-,96-,97-/m0/s1
InChIKey: QLONSXHOGHCPLZ-XOUTVXQKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2638.1829999999964
TPSA?: 1141.0000000000002
MolLogP?: 14.38483999999996
Number of H-Donors: 37
Number of H-Acceptors: 36
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 300000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 300000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 300000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 300000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 1.98 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |
