None
AlkaPlorer ID: AK322828
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](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@@H](C)O)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/C118H199N33O33/c1-20-62(12)93(116(182)133-66(16)99(165)136-77(41-43-87(157)158)104(170)137-75(39-29-33-47-122)107(173)146-90(59(6)7)97(125)163)148-106(172)73(37-27-31-45-120)135-86(156)56-128-113(179)96(69(19)152)151-101(167)68(18)131-108(174)80(50-71-54-126-57-129-71)140-100(166)67(17)132-114(180)92(61(10)11)147-111(177)78(48-58(4)5)141-105(171)76(40-42-83(124)153)138-102(168)72(36-26-30-44-119)134-85(155)55-127-98(164)65(15)130-109(175)81(51-88(159)160)142-103(169)74(38-28-32-46-121)139-117(183)94(63(13)21-2)150-118(184)95(64(14)22-3)149-112(178)82(52-89(161)162)143-110(176)79(49-70-34-24-23-25-35-70)144-115(181)91(60(8)9)145-84(154)53-123/h23-25,34-35,54,57-69,72-82,90-96,152H,20-22,26-33,36-53,55-56,119-123H2,1-19H3,(H2,124,153)(H2,125,163)(H,126,129)(H,127,164)(H,128,179)(H,130,175)(H,131,174)(H,132,180)(H,133,182)(H,134,155)(H,135,156)(H,136,165)(H,137,170)(H,138,168)(H,139,183)(H,140,166)(H,141,171)(H,142,169)(H,143,176)(H,144,181)(H,145,154)(H,146,173)(H,147,177)(H,148,172)(H,149,178)(H,150,184)(H,151,167)(H,157,158)(H,159,160)(H,161,162)/t62-,63-,64-,65-,66-,67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91-,92-,93-,94-,95-,96-/m0/s1
InChIKey: WNEGIIVSZOBGAR-UYLZBYKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2608.087999999995
TPSA?: 1161.2300000000002
MolLogP?: 13.012539999999978
Number of H-Donors: 38
Number of H-Acceptors: 36
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 310000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 310000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 310000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 310000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 0.0 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |
